Compile Data Set for Download or QSAR
Report error Found 69 Enz. Inhib. hit(s) with all data for entry = 50040685
TargetC-C chemokine receptor type 5(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50336345(APLAVIROC | CHEMBL1668019 | 4-(4-(((R)-1-butyl-3-(...)
Affinity DataKd:  3nMAssay Description:Binding affinity to CCR5More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 1(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50208999(BX-741 | BX-471 | (R)-1-(5-chloro-2-(2-(4-(4-fluor...)
Affinity DataKd:  1nMAssay Description:Binding affinity to human CCR1 by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 1(Mouse)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50208999(BX-741 | BX-471 | (R)-1-(5-chloro-2-(2-(4-(4-fluor...)
Affinity DataKd:  200nMAssay Description:Binding affinity to mouse CCR1 by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 3(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50209971(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Affinity DataIC50: 0.0340nMAssay Description:Antagonist activity at CCR3 assessed as inhibition of chemotaxis by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 2(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50200880(2-hydroxy-N,N-dimethyl-3-{2-[[(R)-1-(5-methylfuran...)
Affinity DataIC50: 0.0490nMAssay Description:Binding affinity to CXCR2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 5(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50398336(CHEMBL2178577)
Affinity DataIC50: 0.170nMAssay Description:Binding affinity to CCR5More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 5(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50185666((R)-N-(1-(3-(3,5-difluorophenyl)-3-(4-(methylsulfo...)
Affinity DataIC50: 0.320nMAssay Description:Binding affinity to CCR5More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 5(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50145685((4,6-Dimethyl-pyrimidin-5-yl)-(4-{(S)-4-[(R)-2-met...)
Affinity DataIC50: 0.450nMAssay Description:Binding affinity to CCR5More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 2(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50169045((R)-2-(4-isobutylphenyl)-N-(methylsulfonyl)propana...)
Affinity DataIC50: 1nMAssay Description:Antagonist activity at CXCR2 assessed as inhibition of CXCL8-induced neutrophil chemotaxisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 1(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50169045((R)-2-(4-isobutylphenyl)-N-(methylsulfonyl)propana...)
Affinity DataIC50: 1nMAssay Description:Binding affinity to CXCR1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 5(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50088301((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Affinity DataIC50: 1.40nMAssay Description:Binding affinity to CCR5More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 3(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50209971(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Affinity DataIC50: 2nMAssay Description:Binding affinity to CCR3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 9(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50398334(CHEMBL2178578)
Affinity DataIC50: 2.80nMAssay Description:Antagonist activity at CCR9 assessed as inhibition of CCL25-induced chemotaxis by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-C chemokine receptor type 5(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50422828(TBR-652 | TAK-652 | CENICRIVIROC | CENICRIVIROC ME...)
Affinity DataIC50: 3nMAssay Description:Antagonist activity at CCR5 assessed as inhibition of CCL3 bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 5(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50334986(4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...)
Affinity DataIC50: 3nMAssay Description:Binding affinity to CCR5More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 5(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50339033(5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)...)
Affinity DataIC50: 3.10nMAssay Description:Binding affinity to CCR5More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 1(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50398339(CHEMBL2178569)
Affinity DataIC50: 3.40nMAssay Description:Antagonist activity at CCR1 assessed as inhibition of CCL3-induced chemotaxis by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 2(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50381177(CHEMBL2018386)
Affinity DataIC50: 3.60nMAssay Description:Binding affinity to CCR2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 1(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50200880(2-hydroxy-N,N-dimethyl-3-{2-[[(R)-1-(5-methylfuran...)
Affinity DataIC50: 3.90nMAssay Description:Binding affinity to CXCR1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 2(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50398343(CHEMBL2178573 | US9394307, 4-chloro-N-(5-methyl-2-...)
Affinity DataIC50: 5nMAssay Description:Binding affinity to CCR2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 1(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50398344(CHEMBL2178572)
Affinity DataIC50: 5nMAssay Description:Antagonist activity at CCR1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 2(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50398333(CHEMBL2178579)
Affinity DataIC50: 5.10nMAssay Description:Binding affinity to CXCR2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 2(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50422828(TBR-652 | TAK-652 | CENICRIVIROC | CENICRIVIROC ME...)
Affinity DataIC50: 5.90nMAssay Description:Antagonist activity at CCR2 assessed as inhibition of CCL2 bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 9(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50398334(CHEMBL2178578)
Affinity DataIC50: 6nMAssay Description:Binding affinity to CCR9More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-X-C chemokine receptor type 3(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)
Affinity DataIC50: 8nMAssay Description:Binding affinity to CXCR3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-C chemokine receptor type 3(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50394155(CHEMBL2158814)
Affinity DataIC50: 8.10nMAssay Description:Antagonist activity at CCR3 assessed as inhibition of eotaxin bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 1(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50398350(UCB-35625 | CHEMBL486030)
Affinity DataIC50: 9.60nMAssay Description:Antagonist activity at CCR1 assessed as inhibition of CCL3-induced chemotaxis by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 3(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50398342(CHEMBL2178574)
Affinity DataIC50: 10nMAssay Description:Binding affinity to CCR3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 2(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50203012(SB-225002 | 1-(2-bromophenyl)-3-(2-hydroxy-4-nitro...)
Affinity DataIC50: 22nMAssay Description:Binding affinity to CXCR2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 1(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50203012(SB-225002 | 1-(2-bromophenyl)-3-(2-hydroxy-4-nitro...)
Affinity DataIC50: 22nMAssay Description:Antagonist activity at CXCR1 assessed as inhibition of CXCL8 binding by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 2(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50088301((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Affinity DataIC50: 27nMAssay Description:Binding affinity to CCR2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 3(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50099480(2-(Benzothiazol-2-ylsulfanyl)-N-[1-(3,4-dichloro-b...)
Affinity DataIC50: 32nMAssay Description:Binding affinity to CCR3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetHistamine H1 receptor(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50394155(CHEMBL2158814)
Affinity DataIC50: 40nMAssay Description:Binding affinity to histamine H1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50209971(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Affinity DataIC50: 40nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50035696(AMD-3100 | CHEMBL18442 | 11-{4-[4,8, 11-1,4,8,11te...)
Affinity DataIC50: 74nMAssay Description:Binding affinity to CXCR4More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-C chemokine receptor type 3(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50398350(UCB-35625 | CHEMBL486030)
Affinity DataIC50: 93.7nMAssay Description:Antagonist activity at CCR3 assessed as inhibition of CCL11-induced chemotaxis by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 2(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50169045((R)-2-(4-isobutylphenyl)-N-(methylsulfonyl)propana...)
Affinity DataIC50: 100nMAssay Description:Binding affinity to CXCR2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 2(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50398333(CHEMBL2178579)
Affinity DataIC50: 261nMAssay Description:Antagonist activity at CXCR2 assessed as inhibition of neutrophil CD11b up-regulationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 2(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50398333(CHEMBL2178579)
Affinity DataIC50: 311nMAssay Description:Antagonist activity at CXCR2 assessed as inhibition of neutrophil shape changeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50209971(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Affinity DataIC50: 400nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 1(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50099480(2-(Benzothiazol-2-ylsulfanyl)-N-[1-(3,4-dichloro-b...)
Affinity DataIC50: 450nMAssay Description:Binding affinity to CCR1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 1(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50203012(SB-225002 | 1-(2-bromophenyl)-3-(2-hydroxy-4-nitro...)
Affinity DataIC50: 3.00E+3nMAssay Description:Binding affinity to CXCR1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 1(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50398333(CHEMBL2178579)
Affinity DataIC50: 1.00E+4nMAssay Description:Binding affinity to CXCR1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 3(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50358609(CHEMBL1921858)
Affinity DataKi:  0.400nMAssay Description:Binding affinity to CXCR3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetType-1 angiotensin II receptor(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50042235(2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...)
Affinity DataKi:  0.800nMAssay Description:Binding affinity to AT1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetType-1 angiotensin II receptor(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50175523(4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...)
Affinity DataKi:  0.800nMAssay Description:Binding affinity to AT1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 5(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50398339(CHEMBL2178569)
Affinity DataKi:  1nMAssay Description:Binding affinity to CCR5More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 1(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50208999(BX-741 | BX-471 | (R)-1-(5-chloro-2-(2-(4-(4-fluor...)
Affinity DataKi:  1nMAssay Description:Binding affinity to CCR1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50398339(CHEMBL2178569)
Affinity DataKi:  1.30nMAssay Description:Binding affinity to muscarinic M2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50091105(4'-Oxazol-2-yl-biphenyl-2-sulfonicacid(3,4-dimethy...)
Affinity DataKi:  1.40nMAssay Description:Binding affinity to ETA receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
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