Compile Data Set for Download or QSAR
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Found 25 Enz. Inhib. hit(s) with all data for entry = 50017422
TargetAdenosine deaminase(Homo sapiens (Human))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Affinity DataKi:  0.00300nMAssay Description:Binding affinity to human erythrocytic ADA assessed as inhibition constant by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetAdenosine deaminase(Homo sapiens (Human))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM50367032(COFORMYCIN)
Affinity DataKi:  0.0100nMAssay Description:Binding affinity to ADA (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetLethal factor(Bacillus anthracis)
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM50601786(CHEMBL5180162)
Affinity DataKi:  0.270nMAssay Description:Binding affinity to Bacillus anthracis lethal factor assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Sus scrofa (pig))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM26526((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)
Affinity DataKi:  0.560nMAssay Description:Inhibition of porcine TACEMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Homo sapiens (Human))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Affinity DataKi:  1nMAssay Description:Binding affinity to ADA (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Mus musculus)
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM22948(1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)pro...)
Affinity DataKi:  3.60nMAssay Description:Binding affinity to recombinant mouse ADA assessed as inhibition constantMore data for this Ligand-Target Pair
TargetLethal factor(Bacillus anthracis)
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM50601785(CHEMBL5203076)
Affinity DataKi:  6.40nMAssay Description:Binding affinity to Bacillus anthracis lethal factor assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetLethal factor(Bacillus anthracis)
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
Affinity DataKi:  7nMAssay Description:Binding affinity to Bacillus anthracis lethal factor assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetLethal factor(Bacillus anthracis)
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM8503((2R)-2-[(4-fluoro-3-methylbenzene)sulfonamido]-N-h...)
Affinity DataKi:  24nMAssay Description:Binding affinity to Bacillus anthracis lethal factor assessed as inhibition constantMore data for this Ligand-Target Pair
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM23274((2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamid...)
Affinity DataKi:  300nMAssay Description:Binding affinity to Clostridium botulinum BoNT/A light chain assessed as inhibition constant using SNAPtide as substrate by HPLC assayMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM50415001(CHEMBL570015 | GSK-256066 | GSK-256066 (3))
Affinity DataIC50:  0.00300nMAssay Description:Inhibition of human PDE4 expressed in Sf9 cells by non-linear regression analysisMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM50367879(LISINOPRIL)
Affinity DataIC50:  0.100nMAssay Description:Inhibition of angiotensin converting enzyme (unknown origin)More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM14774(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)
Affinity DataIC50:  0.840nMAssay Description:Inhibition of human recombinant PDE4B by liquid scintillation counter methodMore data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM50166256(5-[4-(4-Bromo-phenoxy)-phenyl]-5-(4-isopropyl-pipe...)
Affinity DataIC50:  1nMAssay Description:Inhibition of MMP-9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGTPase HRas(Homo sapiens (Human))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM50092365((R)-1-((1H-imidazol-5-yl)methyl)-3-benzyl-4-(thiop...)
Affinity DataIC50:  1.30nMAssay Description:Inhibition of human H-rasMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetDisintegrin and metalloproteinase domain-containing protein 10(Homo sapiens (Human))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM50601784(CHEMBL5206579)
Affinity DataIC50:  5.30nMAssay Description:Inhibition of human ADAM10 using (biotin-SPLAQAVRSSSRTP(3H)S-NH2) as a substrate by streptavidin-coated scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetGTPase KRas(Homo sapiens (Human))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM50092365((R)-1-((1H-imidazol-5-yl)methyl)-3-benzyl-4-(thiop...)
Affinity DataIC50:  8.40nMAssay Description:Inhibition of human K-rasMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Sus scrofa (pig))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM50203527((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)
Affinity DataIC50:  14nMAssay Description:Inhibition of porcine ADAM17 using (7-methoxycour-marin-4-yl)-acetyl-Pro-Leu-Ala-Gln-Ala-Val-(3-[2,4-dinitrophenyl]- L -2, 3-diaminopropionyl)-Arg-Se...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetDisintegrin and metalloproteinase domain-containing protein 10(Homo sapiens (Human))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM50203527((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)
Affinity DataIC50:  22nMAssay Description:Inhibition of human ADAM10 using (7-methoxycour-marin-4-yl)-acetyl-Pro-Leu-Ala-Gln-Ala-Val-(3-[2,4-dinitrophenyl]- L -2, 3-diaminopropionyl)-Arg-Ser-...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM50346088((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)
Affinity DataIC50:  95nMAssay Description:Inhibition of human recombinant PDE4B by liquid scintillation counter methodMore data for this Ligand-Target Pair
TargetLethal factor(Bacillus anthracis)
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM50070942((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Affinity DataIC50:  97nMAssay Description:Inhibition of Bacillus anthracis lethal factorMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM23274((2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamid...)
Affinity DataIC50:  400nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chain using SNAPtide as substrate by HPLC assayMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  420nMAssay Description:Inhibition of angiotensin converting enzyme (unknown origin)More data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM50601784(CHEMBL5206579)
Affinity DataIC50:  541nMAssay Description:Inhibition of human ADAM17More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetHistone deacetylase 4(Homo sapiens (Human))
Hefei University Of Technology

Curated by ChEMBL
LigandPNGBDBM50565139(Tasquinimod)
Affinity DataKd:  10nMAssay Description:Inhibition of human N-terminal flag-tag full-length wild-type HDAC4 by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails PubMed