Compile Data Set for Download or QSAR
Report error Found 29 Enz. Inhib. hit(s) with all data for entry = 50026429
TargetCathepsin K(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50251429BDBM50251429(4'-Piperazin-1-yl-biphenyl-4-carboxylic acid [(S)-...)
Affinity DataIC50: 0.0150nMAssay Description:Inhibition of cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50067933BDBM50067933(5-[(2S,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3...)
Affinity DataIC50: 0.0700nMAssay Description:Inhibition of NK1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50220136BDBM50220136(CHEMBL1471 | 5-(((2R,3S)-2-((R)-1-(3,5-bis(trifluo...)
Affinity DataIC50: 0.0900nMAssay Description:Inhibition of NK1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50049469BDBM50049469(5-[(2S,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3...)
Affinity DataIC50: 0.0900nMAssay Description:Inhibition of NK1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50067937BDBM50067937(5-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phen...)
Affinity DataIC50: 0.0900nMAssay Description:Inhibition of NK1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCathepsin K(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 19489BDBM19489((2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifl...)
Affinity DataIC50: 0.200nMAssay Description:Inhibition of cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCannabinoid receptor 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50200841BDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 0.290nMAssay Description:Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCathepsin K(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50240981BDBM50240981(4'-piperazin-1-yl-biphenyl-4-carboxylic acid [1-(c...)
Affinity DataIC50: 0.400nMAssay Description:Inhibition of cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCannabinoid receptor 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50200833BDBM50200833(N-((2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl)-...)
Affinity DataIC50: 0.540nMAssay Description:Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetProstaglandin D2 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50205278BDBM50205278([(3R)-4-(4-chlorobenzyl)-5-(1-hydroxyethyl)-7-(met...)
Affinity DataKi:  0.570nMAssay Description:Inhibition of prostaglandin DP receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetProstaglandin D2 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50251428BDBM50251428(2-(4-(4-chlorobenzyl)-5-acetyl-7-fluoro-1,2,3,4-te...)
Affinity DataKi:  1.10nMAssay Description:Inhibition of prostaglandin DP receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCannabinoid receptor 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50200844BDBM50200844(N-((2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl)-...)
Affinity DataIC50: 1.47nMAssay Description:Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCannabinoid receptor 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50200831BDBM50200831(N-[(1S,2S)-3-(4-chlorophenyl)-1-methyl-2-phenyl-pr...)
Affinity DataIC50: 1.80nMAssay Description:Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCannabinoid receptor 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50200838BDBM50200838(N-((2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl)-...)
Affinity DataIC50: 2.03nMAssay Description:Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetProstaglandin D2 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50184212BDBM50184212((R)-2-(4-(4-chlorobenzyl)-5-acetyl-7-(methylsulfon...)
Affinity DataKi:  2.60nMAssay Description:Inhibition of prostaglandin DP receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCathepsin K(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50251439BDBM50251439(1-[(S)-2,2,2-Trifluoro-1-(4'-piperazin-1-yl-biphen...)
Affinity DataIC50: 5nMAssay Description:Inhibition of cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 11162BDBM11162(Triazolopiperazine Analogue 1 | (3R)-3-amino-1-[3-...)
Affinity DataIC50: 18nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 11160BDBM11160(Sitagliptin Analog 13 | (3R)-3-amino-4-(2,5-difluo...)
Affinity DataIC50: 27nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50210652BDBM50210652((R)-3-amino-1-(3-ethyl-5,6-dihydro-[1,2,4]triazolo...)
Affinity DataIC50: 37nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetProthrombin(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50251417BDBM50251417(4-[(R)-2-(4-Fluoro-benzyl)-1,3-dioxo-decahydro-pyr...)
Affinity DataKi:  57nMAssay Description:Inhibition of human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 11161BDBM11161((1R)-3-(5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7...)
Affinity DataIC50: 68nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 11163BDBM11163((1R)-1-(2,5-difluorobenzyl)-3-oxo-3-[3-(2,2,2-trif...)
Affinity DataIC50: 71nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50210658BDBM50210658((R)-3-amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,...)
Affinity DataIC50: 87nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 11159BDBM11159((1R)-1-(3,4-difluorobenzyl)-3-oxo-3-[3-(trifluorom...)
Affinity DataIC50: 128nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50210653BDBM50210653((R)-3-amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,...)
Affinity DataIC50: 151nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetProthrombin(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50251440BDBM50251440(4-((R)-2-Benzyl-1,3-dioxo-decahydro-pyrrolo[3,4-a]...)
Affinity DataKi:  310nMAssay Description:Inhibition of human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetProthrombin(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50251416BDBM50251416(4-[(R)-2-(3-Fluoro-benzyl)-1,3-dioxo-decahydro-pyr...)
Affinity DataKi:  360nMAssay Description:Inhibition of human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetProthrombin(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50251415BDBM50251415(4-[(R)-2-(2-Fluoro-benzyl)-1,3-dioxo-decahydro-pyr...)
Affinity DataKi:  500nMAssay Description:Inhibition of human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50210655BDBM50210655((R)-3-amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,...)
Affinity DataIC50: 805nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed