Compile Data Set for Download or QSAR
Report error Found 327 Enz. Inhib. hit(s) with all data for entry = 50016051
TargetStearoyl-CoA desaturase(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50257967(N-(2-(7-(4-chloro-3-(trifluoromethyl)benzylamino)-...)
Affinity DataIC50: 0.0500nMAssay Description:Inhibition of SCD in human HepG2 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetAcyl-CoA desaturase 1(Rat)
Central South University

Curated by ChEMBL
LigandPNGBDBM50257967(N-(2-(7-(4-chloro-3-(trifluoromethyl)benzylamino)-...)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of SCD in rat microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCoagulation factor X(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591761(CHEMBL5189562)
Affinity DataKi:  0.800nMAssay Description:Inhibition of coagulation factor Xa (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetHepatocyte growth factor receptor(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50269498(CHEMBL4082724)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of c-MET (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetGlutamate receptor ionotropic, NMDA 2A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50038046(2-((S)-9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-...)
Affinity DataKi:  0.960nMAssay Description:Displacement of [3H]DCKA from NMDA receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetHepatocyte growth factor receptor(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50529127(CHEMBL4472885)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of c-MET (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetGlutamate receptor ionotropic, NMDA 2A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591723(CHEMBL5185347)
Affinity DataKi:  1.40nMAssay Description:Displacement of [3H]DCKA from NMDA receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50073539(CHEMBL3408926)
Affinity DataIC50: 1.60nMAssay Description:Inhibition of MAO-A (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetHepatocyte growth factor receptor(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591688(CHEMBL5207345)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of c-MET (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetGlutamate receptor ionotropic, NMDA 2A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50038055(((S)-9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-py...)
Affinity DataKi:  2.30nMAssay Description:Displacement of [3H]DCKA from NMDA receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetGlutamate receptor ionotropic, NMDA 2A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591726(CHEMBL450325)
Affinity DataIC50: 2.60nMAssay Description:Displacement of [3H]L-689560 from NMDA receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetGlutamate receptor ionotropic, NMDA 2A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50038047(2-(9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyri...)
Affinity DataKi:  2.60nMAssay Description:Displacement of [3H]DCKA from NMDA receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50091831((R)-8,9-Dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazin...)
Affinity DataKi:  3nMAssay Description:Agonist activity at 5-HT2C receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetGlutamate receptor ionotropic, NMDA 2A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591722(CHEMBL5208012)
Affinity DataKi:  3nMAssay Description:Displacement of [3H]DCKA from NMDA receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetGlutamate receptor ionotropic, NMDA 2A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50284815(2-((S)-9-Chloro-6-methyl-2,3-dioxo-2,3,6,7-tetrahy...)
Affinity DataKi:  3.10nMAssay Description:Displacement of [3H]DCKA from NMDA receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 3.10nMAssay Description:Inhibition of MAO-A (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetVascular endothelial growth factor receptor 2(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM16673(Xarelto | BAY439006 | CHEMBL1336 | BAY 43-9006 | 4...)
Affinity DataIC50: 3.20nMAssay Description:Inhibition of VEGFR2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetGlutamate receptor ionotropic, NMDA 2A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591721(CHEMBL5208606)
Affinity DataKi:  3.30nMAssay Description:Displacement of [3H]DCKA from NMDA receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetVascular endothelial growth factor receptor 2(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591689(CHEMBL5170911)
Affinity DataIC50: 3.40nMAssay Description:Inhibition of VEGFR2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetVascular endothelial growth factor receptor 2(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591691(CHEMBL5175388)
Affinity DataIC50: 3.90nMAssay Description:Inhibition of VEGFR2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetGlutamate receptor ionotropic, NMDA 2A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50284813(((S)-9-Chloro-6-methyl-2,3-dioxo-2,3,6,7-tetrahydr...)
Affinity DataKi:  4.40nMAssay Description:Displacement of [3H]DCKA from NMDA receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetGlutamate receptor ionotropic, NMDA 2A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591725(CHEMBL61720)
Affinity DataIC50: 4.40nMAssay Description:Displacement of [3H]L-689560 from NMDA receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetVascular endothelial growth factor receptor 2(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591690(CHEMBL5202279)
Affinity DataIC50: 4.80nMAssay Description:Inhibition of VEGFR2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50297829(7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-...)
Affinity DataKi:  5nMAssay Description:Inhibition of PARP-1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetGlutamate receptor ionotropic, NMDA 2A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50284817((9-Chloro-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrid...)
Affinity DataKi:  5.10nMAssay Description:Displacement of [3H]DCKA from NMDA receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50297829(7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-...)
Affinity DataEC50:  6nMAssay Description:Inhibition of PARP-1 (unknown origin) in cellular based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetGlutamate receptor ionotropic, NMDA 2A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50284818(2-(9-Chloro-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyr...)
Affinity DataKi:  6.60nMAssay Description:Displacement of [3H]DCKA from NMDA receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591701(CHEMBL5196787)
Affinity DataIC50: 7.70nMAssay Description:Inhibition of BRD4 (unknown origin) using histone-H4 as substrate incubated for 15 mins and measured after 1 hr by AlphaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetProthrombin(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50129976(4-{4-Methyl-3-oxo-7-[1-(pyrrolidine-1-carbonyl)-cy...)
Affinity DataIC50: 8nMAssay Description:Inhibition of Thrombin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50091831((R)-8,9-Dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazin...)
Affinity DataEC50:  8nMAssay Description:Agonist activity at 5-HT2C receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50297828(7-(piperidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4...)
Affinity DataKi:  9nMAssay Description:Inhibition of PARP-1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetGlutamate receptor ionotropic, NMDA 2A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591724(CHEMBL129149)
Affinity DataKi:  9.60nMAssay Description:Displacement of [3H]DCKA from NMDA receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetGlutamate receptor ionotropic, NMDA 2A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50038043((9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrido...)
Affinity DataKi:  9.90nMAssay Description:Displacement of [3H]DCKA from NMDA receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetGlutamate receptor ionotropic, NMDA 2A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50069483(N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin...)
Affinity DataIC50: 10nMAssay Description:Displacement of [3H]MDL from NMDA receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetGlutamate receptor ionotropic, NMDA 2A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50069459(Thiophene-3-carboxylic acid (7-bromo-2,3-dioxo-1,2...)
Affinity DataIC50: 10nMAssay Description:Displacement of [3H]MDL from NMDA receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetGlutamate receptor ionotropic, NMDA 2A(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50069465(Thiophene-2-carboxylic acid (7-bromo-2,3-dioxo-1,2...)
Affinity DataIC50: 10nMAssay Description:Displacement of [3H]MDL from NMDA receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50297828(7-(piperidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4...)
Affinity DataEC50:  11nMAssay Description:Inhibition of PARP-1 (unknown origin) in cellular based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetSerine/threonine-protein kinase 33(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50400664(CHEMBL2204239)
Affinity DataIC50: 14nMAssay Description:Inhibition of recombinant STK33 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetProthrombin(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50129969(N-{1-[3-(4-Carbamimidoyl-benzyl)-1-methyl-2-oxo-1,...)
Affinity DataIC50: 15nMAssay Description:Inhibition of Thrombin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCystic fibrosis transmembrane conductance regulator(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50237256(CHEMBL4068723)
Affinity DataEC50:  21nMAssay Description:Potentiation of CFTR in FRT cells co-expressing human wild-type CFTR and YFP iodide-sensing protein in presence of forskolin measured by High-Through...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591700(CHEMBL5172545)
Affinity DataIC50: 32nMAssay Description:Inhibition of BRD4 (unknown origin) using histone-H4 as substrate incubated for 15 mins and measured after 1 hr by AlphaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50091831((R)-8,9-Dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazin...)
Affinity DataKi:  32nMAssay Description:Anatgonist activity at 5-HT2C receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591747(CHEMBL5200437)
Affinity DataIC50: 45nMAssay Description:Inhibition of HIV1 reverse transcriptaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591750(CHEMBL3133061)
Affinity DataIC50: 70nMAssay Description:Inhibition of HIV1 reverse transcriptaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591699(CHEMBL5205901)
Affinity DataIC50: 73nMAssay Description:Inhibition of BRD4 (unknown origin) using histone-H4 as substrate incubated for 15 mins and measured after 1 hr by AlphaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591751(CHEMBL3133063)
Affinity DataIC50: 75nMAssay Description:Inhibition of HIV1 reverse transcriptaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591697(CHEMBL5208825)
Affinity DataIC50: 75nMAssay Description:Inhibition of EGFR L858R mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591698(CHEMBL5206400)
Affinity DataIC50: 83nMAssay Description:Inhibition of EGFR L858R mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCoagulation factor X(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50129976(4-{4-Methyl-3-oxo-7-[1-(pyrrolidine-1-carbonyl)-cy...)
Affinity DataIC50: 84nMAssay Description:Inhibition of coagulation factor Xa (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Central South University

Curated by ChEMBL
LigandPNGBDBM50591696(CHEMBL5192318)
Affinity DataIC50: 87nMAssay Description:Inhibition of EGFR L858R mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
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