Compile Data Set for Download or QSAR
Report error Found 16 Enz. Inhib. hit(s) with all data for entry = 50020748
TargetD(3) dopamine receptor(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50116766((6S)-N(6)-propyl-4,5,6,7-tetrahydro-1,3-benzothiaz...)
Affinity DataKi:  0.5nMAssay Description:Binding affinity to human D3 receptor assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCoagulation factor X(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50328731(Edoxaban | CHEMBL1269025)
Affinity DataKi:  0.561nMAssay Description:Inhibition of activated human factor XMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50428286(GSK2118436A | DABRAFENIB)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of B-Raf V600E mutant (unknown origin) in presence of ATP by competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetXanthine dehydrogenase/oxidase(Bovine)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50320491(CHEMBL1164729 | 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-M...)
Affinity DataKi:  0.600nMAssay Description:Binding affinity to bovine milk XO using xanthine as substrate assessed as inhibition constant by Dixon plot based methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetD(4) dopamine receptor(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50116766((6S)-N(6)-propyl-4,5,6,7-tetrahydro-1,3-benzothiaz...)
Affinity DataKi:  1.30nMAssay Description:Binding affinity to human D4 receptor assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50328731(Edoxaban | CHEMBL1269025)
Affinity DataKi:  3nMAssay Description:Inhibition of activated human factor X/activated human factor V complex derived prothrombinase using S-2238 as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetXanthine dehydrogenase/oxidase(Bovine)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50320491(CHEMBL1164729 | 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-M...)
Affinity DataKi:  3.10nMAssay Description:Binding affinity to bovine milk XO using xanthine as substrate assessed as inhibition constant by 1/V-axis intercept replot based methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetD(2) dopamine receptor(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50116766((6S)-N(6)-propyl-4,5,6,7-tetrahydro-1,3-benzothiaz...)
Affinity DataKi:  3.90nMAssay Description:Binding affinity to human D2 receptor assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetRAF proto-oncogene serine/threonine-protein kinase(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50428286(GSK2118436A | DABRAFENIB)
Affinity DataIC50: 5nMAssay Description:Inhibition of C-Raf (unknown origin) in presence of ATP by competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKi:  16nMAssay Description:Binding affinity to Src (unknown origin) assessed as inhibition constant in presence of ATP by competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKi:  30nMAssay Description:Binding affinity to Bcr-Abl (unknown origin) assessed as inhibition constant in presence of ATP by competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetProstaglandin G/H synthase 2(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50056998(Meloxicam sodium | 4-Hydroxy-2-methyl-1,1-dioxo-1,...)
Affinity DataIC50: 490nMAssay Description:Inhibition of COX-2 (unknown origin) assessed as reduction in PGE2 productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50633267(CHEMBL5414074)
Affinity DataIC50: 1.79E+3nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50336504((2R,3aR,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-...)
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibition of SARS-CoV-2 RdRp preincubated for 5 mins followed by UTP addition measured after 20 mins by Picogreen fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50336504((2R,3aR,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-...)
Affinity DataIC50: 9.60E+3nMAssay Description:Inhibition of C-terminal His6-MBP-tagged SARS-CoV-2 MPro preincubated for 30 mins followed by substrate addition by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetProstaglandin G/H synthase 1(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50056998(Meloxicam sodium | 4-Hydroxy-2-methyl-1,1-dioxo-1,...)
Affinity DataIC50: 3.66E+4nMAssay Description:Inhibition of COX-1 (unknown origin) assessed as reduction in PGE2 productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)