Compile Data Set for Download or QSAR
maximum 50k data
Report error Found 68 Enz. Inhib. hit(s) with all data for entry = 50031774
TargetCannabinoid receptor 1(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50072775(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Affinity DataKi:  0.580nMAssay Description:Binding affinity to cannabinoid CB1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCannabinoid receptor 2(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50072775(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Affinity DataKi:  0.680nMAssay Description:Binding affinity to cannabinoid CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetProstaglandin E2 receptor EP4 subtype(Mouse)
Amgen

Curated by ChEMBL
LigandPNGBDBM50101858(4-(2-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxy-4-(3...)
Affinity DataKi:  0.700nMAssay Description:Binding affinity to mouse EP4 receptor by competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin K(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50318881(CHEMBL1086008 | N-(1-((2S,3S)-2-ethyl-4-oxotetrahy...)
Affinity DataKi:  2.5nMAssay Description:Inhibition of cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCannabinoid receptor 2(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50180036((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)
Affinity DataKi:  3.40nMAssay Description:Binding affinity to cannabinoid CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin K(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50318882(4-(2-(4-methylpiperazin-1-yl)thiazol-4-yl)-N-(1-((...)
Affinity DataKi:  4.80nMAssay Description:Inhibition of cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCannabinoid receptor 1(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM21279(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Affinity DataKi:  7.49nMAssay Description:Binding affinity to cannabinoid CB1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin K(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50318879(CHEMBL607169 | N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxo...)
Affinity DataKi:  10.1nMAssay Description:Inhibition of cathepsin K at enzyme-substrate complex stateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCannabinoid receptor 2(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50265621(((1R,4S,5R)-4-(2,6-dimethoxy-4-(2-methyloctan-2-yl...)
Affinity DataKi:  22.7nMAssay Description:Binding affinity to cannabinoid CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCannabinoid receptor 2(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50160434((6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-...)
Affinity DataKi:  31.2nMAssay Description:Binding affinity to cannabinoid CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProstaglandin E2 receptor EP3 subtype(Mouse)
Amgen

Curated by ChEMBL
LigandPNGBDBM50318871(4-(2-{(1R,2R,3R)-3-Hydroxy-2-[(E)-(S)-3-hydroxy-4-...)
Affinity DataKi:  56nMAssay Description:Binding affinity to mouse EP3 receptor by competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProstaglandin E2 receptor EP2 subtype(Mouse)
Amgen

Curated by ChEMBL
LigandPNGBDBM50101858(4-(2-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxy-4-(3...)
Affinity DataKi:  620nMAssay Description:Binding affinity to mouse EP2 receptor by competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCannabinoid receptor 1(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50180036((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)
Affinity DataKi:  677nMAssay Description:Binding affinity to cannabinoid CB1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCannabinoid receptor 2(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM21279(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Affinity DataKi:  2.29E+3nMAssay Description:Binding affinity to cannabinoid CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCannabinoid receptor 1(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  2.40E+3nMAssay Description:Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCannabinoid receptor 1(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50160434((6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-...)
Affinity DataKi:  5.15E+3nMAssay Description:Binding affinity to cannabinoid CB1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCannabinoid receptor 2(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  1.00E+4nMAssay Description:Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetIntegrin alpha-V/beta-3(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50191290(3-((5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl...)
Affinity DataIC50:  0.0300nMAssay Description:Displacement of [125I]echistatin from integrin alphaVbeta3 in human NCI-H1975 cells after 3 hrs by gamma countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetIntegrin alpha-V/beta-3(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50134778((S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(5,6,...)
Affinity DataIC50:  0.0800nMAssay Description:Inhibition of integrin alphaVbeta3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetIntegrin alpha-V/beta-3(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50318878((S)-3-(3-methoxy-4-(4-(1,4,5,6-tetrahydropyrimidin...)
Affinity DataIC50:  0.190nMAssay Description:Inhibition of integrin alphaVbeta3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin K(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50255753(CHEMBL481611 | MK-0822 | Odanacatib)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetIntegrin alpha-V/beta-3(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50162757((3S,7S)-7-Hydroxy-3-(6-methoxy-pyridin-3-yl)-9-(5,...)
Affinity DataIC50:  0.240nMAssay Description:Inhibition of integrin alphaVbeta3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetIntegrin alpha-V/beta-3(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50177628((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(5,6,7,8-...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of integrin alphaVbeta3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetIntegrin alpha-V/beta-3(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50201116(3-(3-pyridyl)-3-[4-[2-(5,6,7,8-tetrahydro[1,8]naph...)
Affinity DataIC50:  0.5nMAssay Description:Inhibition of integrin alphaVbeta3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetIntegrin alpha-V/beta-3(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of integrin alphaVbeta3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin K(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50253098((1R,2R)-5,5-Dichloro-N-(1-cyanocyclopropyl)-2-[4-[...)
Affinity DataIC50:  0.620nMAssay Description:Inhibition of humanized rabbit cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProstaglandin E2 receptor EP3 subtype(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM35847((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)
Affinity DataIC50:  0.940nMAssay Description:Binding affinity to EP3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetProstaglandin E2 receptor EP1 subtype(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM35847((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)
Affinity DataIC50:  1.10nMAssay Description:Binding affinity to EP1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetGlycogen synthase kinase-3 beta(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50150698(3-(imidazo[1,2-a]pyridin-3-yl)-4-(2-(morpholine-4-...)
Affinity DataIC50:  1.30nMAssay Description:Inhibition of GSK3betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin K(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM19855(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetFocal adhesion kinase 1(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50246060(CHEMBL472212 | CHEMBL541649 | D3RKN_6 | N-methyl-N...)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of FAKMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetFocal adhesion kinase 1(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50318884(CHEMBL1084546 | CHEMBL2430359 | N-methyl-N-(3-((2-...)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of FAKMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

LigandPNGBDBM12255(AZD0530 | CHEMBL217092 | Compound 33 | N-(5-chloro...)
Affinity DataIC50:  2.70nMAssay Description:Inhibition of SRCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTyrosine-protein kinase Yes(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM12255(AZD0530 | CHEMBL217092 | Compound 33 | N-(5-chloro...)
Affinity DataIC50:  4nMAssay Description:Inhibition of YESMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin K(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50318880((S)-2-(4-(2-(1-(biphenyl-3-ylamino)cyclohexanecarb...)
Affinity DataIC50:  4.80nMAssay Description:Inhibition of human cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin K(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50318880((S)-2-(4-(2-(1-(biphenyl-3-ylamino)cyclohexanecarb...)
Affinity DataIC50:  4.80nMAssay Description:Inhibition of cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50181298(5-(3-((S)-2-((R)-3-hydroxy-4-(3-(trifluoromethyl)p...)
Affinity DataIC50:  6nMAssay Description:Binding affinity to rat EP4 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProstaglandin E2 receptor EP4 subtype(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM35847((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)
Affinity DataIC50:  9.90nMAssay Description:Binding affinity to EP4 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetProtein-tyrosine kinase 2-beta(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50246060(CHEMBL472212 | CHEMBL541649 | D3RKN_6 | N-methyl-N...)
Affinity DataIC50:  11nMAssay Description:Inhibition of PYK2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetProtein-tyrosine kinase 2-beta(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50318884(CHEMBL1084546 | CHEMBL2430359 | N-methyl-N-(3-((2-...)
Affinity DataIC50:  14nMAssay Description:Inhibition of PYK2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCathepsin K(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50249410(5-amino-4-(isobutylamino)-6-morpholinopyrimidine-2...)
Affinity DataIC50:  18nMAssay Description:Inhibition of cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50318873((1S,2S,3R,4R,5S)-6-{2-[(1R)-1-[(2R)-3-{[1-(3-fluor...)
Affinity DataIC50:  25nMAssay Description:Inhibition of CaSRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetIntegrin alpha-V/beta-3(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50191290(3-((5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl...)
Affinity DataIC50:  30nMAssay Description:Inhibition of integrin alphaVbeta3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTyrosine-protein kinase ABL1(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM12255(AZD0530 | CHEMBL217092 | Compound 33 | N-(5-chloro...)
Affinity DataIC50:  30nMAssay Description:Inhibition of ABL1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetIntegrin alpha-V/beta-3(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50100971(CHEMBL40929 | N-(3,5-dichlorophenyl)imidodicarboni...)
Affinity DataIC50:  33.5nMAssay Description:Inhibition of integrin alphaVbeta3-mediated adhesion of human cells M21 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin K(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50318883(CHEMBL1085282 | VEL-0230 | sodium(2S,3S)-3-((S)-1-...)
Affinity DataIC50:  34.5nMAssay Description:Inhibition of cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProstaglandin E2 receptor EP2 subtype(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM35847((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)
Affinity DataIC50:  37.7nMAssay Description:Binding affinity to EP2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

LigandPNGBDBM50161093((R)-2-chloro-6-(2-hydroxy-3-(2-methyl-1-(naphthale...)
Affinity DataIC50:  43nMAssay Description:Inhibition of human CaSR expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCathepsin K(Rat)
Amgen

Curated by ChEMBL
LigandPNGBDBM50318880((S)-2-(4-(2-(1-(biphenyl-3-ylamino)cyclohexanecarb...)
Affinity DataIC50:  58nMAssay Description:Inhibition of rat cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTyrosine-protein kinase ABL1(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50318870(((4-(2-(cis-4-aminocyclohexyl)-9-ethyl-9H-purin-6-...)
Affinity DataIC50:  68nMAssay Description:Inhibition of ABL1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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