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Found 1004 with Last Name = 'ontoria' and Initial = 'jm'
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150997(4-{2-[(S)-4,4-Difluoro-2-({(2S,4R)-1-((S)-2-isobut...)
Affinity DataKi:  20nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150993(4-[2-(4,4-Difluoro-2-{[(S)-(R)-1-(2-isobutoxycarbo...)
Affinity DataKi:  30nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150992(CHEMBL366279 | {(S)-1-[(2S,4S)-4-Cyclohexyl-2-((S)...)
Affinity DataKi:  100nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150991(2-{3-[2-((S)-2-{[(2S,4S)-4-Cyclohexyl-1-((S)-2-iso...)
Affinity DataKi:  120nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150989(CHEMBL362406 | {3-[2-((S)-2-{[(2S,4S)-4-Cyclohexyl...)
Affinity DataKi:  190nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150990(4-[2-((S)-2-{[(R)-4-Cyclohexyl-1-((S)-2-isobutoxyc...)
Affinity DataKi:  350nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150986((E)-3-{3-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-((S)-2...)
Affinity DataKi:  350nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150994((E)-3-{3-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-((S)-2...)
Affinity DataKi:  400nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150984(4-(2-{(S)-4,4-Difluoro-2-[(S)-2-((S)-2-isobutoxyca...)
Affinity DataKi:  400nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144349(4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-isobutoxyc...)
Affinity DataKi:  450nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150995(CHEMBL263183 | [(S)-1-((2S,4S)-4-Cyclohexyl-2-{(S)...)
Affinity DataKi:  450nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150983(2-{3-[2-((S)-2-{[(2S,4S)-4-Cyclohexyl-1-((S)-2-iso...)
Affinity DataKi:  500nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150996(CHEMBL181465 | {3-[2-((S)-2-{[(2S,4S)-4-Cyclohexyl...)
Affinity DataKi:  650nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150985(CHEMBL362404 | {3-[2-((S)-4,4-Difluoro-2-{[(2S,4S)...)
Affinity DataKi:  1.00E+3nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144357(3-Chloro-4-(2-{(S)-4,4-difluoro-2-[(S)-2-((S)-2-is...)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150988((E)-3-{3-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-((S)-2...)
Affinity DataKi:  1.30E+3nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150987(4-[2-((S)-2-{[(R)-4-Benzyloxy-1-((S)-2-isobutoxyca...)
Affinity DataKi:  4.50E+3nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150987(4-[2-((S)-2-{[(R)-4-Benzyloxy-1-((S)-2-isobutoxyca...)
Affinity DataKi:  4.50E+3nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Irbm-Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50306267(1-(2-(4-phenylpiperidin-1-yl)acetyl)-2,3,9,9a-tetr...)
Affinity DataIC50:  0.5nMAssay Description:Inhibition of human PARP1 by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Irbm-Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50306257(1-(3-(1H-benzo[d]imidazol-1-yl)propanoyl)-2,3,9,9a...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human PARP1 by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Irbm-Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50306253(1-(2-(pyridin-3-yl)acetyl)-2,3,9,9a-tetrahydro-1H-...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human PARP1 by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Irbm-Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50306263(1-(azetidine-3-carbonyl)-2,3,9,9a-tetrahydro-1H-be...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human PARP1 by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Irbm-Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50306253(1-(2-(pyridin-3-yl)acetyl)-2,3,9,9a-tetrahydro-1H-...)
Affinity DataIC50:  1nMAssay Description:Inhibition of PARP2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Irbm-Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50306256(1-(3-(pyrazin-2-yl)propanoyl)-2,3,9,9a-tetrahydro-...)
Affinity DataIC50:  1nMAssay Description:Inhibition of PARP2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Irbm-Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50306262(1-(pyrrolidine-3-carbonyl)-2,3,9,9a-tetrahydro-1H-...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human PARP1 by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3(Homo sapiens (Human))TBA
LigandPNGBDBM50612449(CHEMBL5271471)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of human HDAC3 expressed in baculovirus infected insect cells using FLUOR DE LYS-SIRT1 as fluorogenic substrate preincubated for 10 mins f...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails PubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Irbm Science Park

Curated by ChEMBL
LigandPNGBDBM50175036(CHEMBL3809599)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Irbm-Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50306179(5-fluoro-2-(4-((methylamino)methyl)phenyl)-2H-inda...)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of human PARP1 after 3 hrs using [3H]NAD+ by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Irbm-Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50316229(2-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-indazole...)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of human PARP1 by SPAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Irbm Science Park

Curated by ChEMBL
LigandPNGBDBM50612447(CHEMBL5285293)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of human recombinant his tagged HDAC1 expressed in baculovirus expression system using FLUOR DE LYS-SIRT1 as fluorogenic substrate preincu...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails PubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Irbm Science Park

Curated by ChEMBL
LigandPNGBDBM50612445(CHEMBL5282110)
Affinity DataIC50:  1.60nMAssay Description:Inhibition of human recombinant his tagged HDAC1 expressed in baculovirus expression system using FLUOR DE LYS-SIRT1 as fluorogenic substrate preincu...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails PubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Irbm Science Park

Curated by ChEMBL
LigandPNGBDBM50612449(CHEMBL5271471)
Affinity DataIC50:  1.70nMAssay Description:Inhibition of human recombinant his tagged HDAC1 expressed in baculovirus expression system using FLUOR DE LYS-SIRT1 as fluorogenic substrate preincu...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails PubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Irbm-Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50316242(2-(4-(piperidin-1-ylmethyl)phenyl)-2H-indazole-7-c...)
Affinity DataIC50:  1.90nMAssay Description:Inhibition of human PARP1 by SPAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Irbm-Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50306173(5-fluoro-2-(3-fluoro-4-((methylamino)methyl)phenyl...)
Affinity DataIC50:  2nMAssay Description:Inhibition of human PARP1 after 3 hrs using [3H]NAD+ by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Irbm-Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50316226((S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...)
Affinity DataIC50:  2.10nMAssay Description:Inhibition of human PARP2 by trichloroacetic acid precipitation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Irbm-Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50316237(2-(4-{[(2-Fluoroethyl)amino]methyl}phenyl)-2H-inda...)
Affinity DataIC50:  2.10nMAssay Description:Inhibition of human PARP1 by SPAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Irbm Science Park

Curated by ChEMBL
LigandPNGBDBM50612450(CHEMBL5279520)
Affinity DataIC50:  2.10nMAssay Description:Inhibition of human recombinant his tagged HDAC1 expressed in baculovirus expression system using FLUOR DE LYS-SIRT1 as fluorogenic substrate preincu...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails PubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Irbm-Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50316230(2-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2H-indazole...)
Affinity DataIC50:  2.20nMAssay Description:Inhibition of human PARP1 by SPAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Irbm-Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50316225((R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...)
Affinity DataIC50:  2.40nMAssay Description:Inhibition of human PARP1 by SPAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50612449(CHEMBL5271471)
Affinity DataIC50:  2.80nMAssay Description:Inhibition of human HDAC2More data for this Ligand-Target Pair
Ligand Info
In DepthDetails PubMed
TargetSmoothened homolog(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50352418(CHEMBL1823863)
Affinity DataIC50:  3nMAssay Description:Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Irbm Science Park

Curated by ChEMBL
LigandPNGBDBM50258551((S)-N-hydroxy-7-(2-(5-methoxy-2-methyl-1H-indol-3-...)
Affinity DataIC50:  3nMAssay Description:Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Irbm Science Park

Curated by ChEMBL
LigandPNGBDBM50612452(CHEMBL5285418)
Affinity DataIC50:  3nMAssay Description:Inhibition of human recombinant his tagged HDAC1 expressed in baculovirus expression system using FLUOR DE LYS-SIRT1 as fluorogenic substrate preincu...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails PubMed
LigandPNGBDBM50406432(CHEMBL5288562)
Affinity DataIC50:  3nMAssay Description:In vitro inhibition of human dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Irbm-Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50316228(2-(4-(pyrrolidin-2-yl)phenyl)-2H-indazole-7-carbox...)
Affinity DataIC50:  3.10nMAssay Description:Inhibition of human PARP1 by SPAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Irbm Science Park

Curated by ChEMBL
LigandPNGBDBM50612453(CHEMBL5285433)
Affinity DataIC50:  3.20nMAssay Description:Inhibition of human recombinant his tagged HDAC1 expressed in baculovirus expression system using FLUOR DE LYS-SIRT1 as fluorogenic substrate preincu...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails PubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Irbm-Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50316225((R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...)
Affinity DataIC50:  3.20nMAssay Description:Inhibition of human PARP1 by SPAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Irbm Science Park

Curated by ChEMBL
LigandPNGBDBM50258549((S)-2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(1-(5-(...)
Affinity DataIC50:  3.20nMAssay Description:Inhibition of human recombinant his tagged HDAC1 expressed in baculovirus expression system using FLUOR DE LYS-SIRT1 as fluorogenic substrate preincu...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Irbm-Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50316226((S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...)
Affinity DataIC50:  3.20nMAssay Description:Inhibition of human PARP1 by SPAMore data for this Ligand-Target Pair
TargetHistone deacetylase 3(Homo sapiens (Human))TBA
LigandPNGBDBM50612445(CHEMBL5282110)
Affinity DataIC50: <3.5nMAssay Description:Inhibition of human HDAC3 expressed in baculovirus infected insect cells using FLUOR DE LYS-SIRT1 as fluorogenic substrate preincubated for 10 mins f...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails PubMed
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