Compile Data Set for Download or QSAR

Found 678 hits with Last Name = 'dossetter' and Initial = 'ag'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50047420 (CHEMBL3319405) Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCOCC3)sc2c1 Show InChI InChI=1S/C25H28ClN5O5S2/c1-30-8-6-17(7-9-30)38(34,35)18-3-5-21-22(15-18)37-25(27-21)29-24(33)28-23(32)19-14-16(2-4-20(19)26)31-10-12-36-13-11-31/h2-5,14-15,17H,6-13H2,1H3,(H2,27,28,29,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of alpha4 nAChR (unknown origin)				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50047420 (CHEMBL3319405) Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCOCC3)sc2c1 Show InChI InChI=1S/C25H28ClN5O5S2/c1-30-8-6-17(7-9-30)38(34,35)18-3-5-21-22(15-18)37-25(27-21)29-24(33)28-23(32)19-14-16(2-4-20(19)26)31-10-12-36-13-11-31/h2-5,14-15,17H,6-13H2,1H3,(H2,27,28,29,32,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of DAT (unknown origin)				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047485 (CHEMBL3319217) Show SMILES CCc1ccc(Cl)c(c1)C(=O)NC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1 Show InChI InChI=1S/C25H30ClN5O4S2/c1-3-17-5-7-20(26)19(15-17)23(32)28-24(33)29-25-27-21-8-6-18(16-22(21)36-25)37(34,35)14-4-9-31-12-10-30(2)11-13-31/h5-8,15-16H,3-4,9-14H2,1-2H3,(H2,27,28,29,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0780	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047481 (CHEMBL3319221) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-n4cccc4)sc3c2)CC1 Show InChI InChI=1S/C27H29ClN6O4S2/c1-32-12-14-33(15-13-32)9-4-16-40(37,38)20-6-8-23-24(18-20)39-27(29-23)31-26(36)30-25(35)21-17-19(5-7-22(21)28)34-10-2-3-11-34/h2-3,5-8,10-11,17-18H,4,9,12-16H2,1H3,(H2,29,30,31,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047429 (CHEMBL3319398) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCCC5)c(cc4Cl)C#N)sc3c2)CC1 Show InChI InChI=1S/C28H32ClN7O4S2/c1-34-10-12-35(13-11-34)7-4-14-42(39,40)20-5-6-23-25(16-20)41-28(31-23)33-27(38)32-26(37)21-17-24(36-8-2-3-9-36)19(18-30)15-22(21)29/h5-6,15-17H,2-4,7-14H2,1H3,(H2,31,32,33,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047480 (CHEMBL3319222) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)N4CCCC4)sc3c2)CC1 Show InChI InChI=1S/C27H33ClN6O4S2/c1-32-12-14-33(15-13-32)9-4-16-40(37,38)20-6-8-23-24(18-20)39-27(29-23)31-26(36)30-25(35)21-17-19(5-7-22(21)28)34-10-2-3-11-34/h5-8,17-18H,2-4,9-16H2,1H3,(H2,29,30,31,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047482 (CHEMBL3319220) Show SMILES CCOc1ccc(Cl)c(c1)C(=O)NC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1 Show InChI InChI=1S/C25H30ClN5O5S2/c1-3-36-17-5-7-20(26)19(15-17)23(32)28-24(33)29-25-27-21-8-6-18(16-22(21)37-25)38(34,35)14-4-9-31-12-10-30(2)11-13-31/h5-8,15-16H,3-4,9-14H2,1-2H3,(H2,27,28,29,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047431 (CHEMBL3319397) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(c(Cl)cc4Cl)-n4cccn4)sc3c2)CC1 Show InChI InChI=1S/C26H27Cl2N7O4S2/c1-33-9-11-34(12-10-33)7-3-13-41(38,39)17-4-5-21-23(14-17)40-26(30-21)32-25(37)31-24(36)18-15-22(20(28)16-19(18)27)35-8-2-6-29-35/h2,4-6,8,14-16H,3,7,9-13H2,1H3,(H2,30,31,32,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047483 (CHEMBL3319219) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)C4CC4)sc3c2)CC1 Show InChI InChI=1S/C26H30ClN5O4S2/c1-31-10-12-32(13-11-31)9-2-14-38(35,36)19-6-8-22-23(16-19)37-26(28-22)30-25(34)29-24(33)20-15-18(17-3-4-17)5-7-21(20)27/h5-8,15-17H,2-4,9-14H2,1H3,(H2,28,29,30,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047688 (CHEMBL3319407) Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(N4CCCC4)c(cc3Cl)C#N)sc2c1 Show InChI InChI=1S/C26H27ClN6O4S2/c1-32-10-6-17(7-11-32)39(36,37)18-4-5-21-23(13-18)38-26(29-21)31-25(35)30-24(34)19-14-22(33-8-2-3-9-33)16(15-28)12-20(19)27/h4-5,12-14,17H,2-3,6-11H2,1H3,(H2,29,30,31,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50448706 (CHEMBL3127854) Show SMILES COc1nc([C@H]2CCCO2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:22.25,wD:15.16,5.4,TLB:14:15:19:21.22.24,25:22:15.16.17:19,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(.87,-30.81,;2.03,-29.8,;3.48,-30.3,;3.94,-31.77,;5.48,-31.79,;6.36,-33.05,;5.87,-34.5,;7.1,-35.43,;8.36,-34.54,;7.91,-33.07,;5.97,-30.33,;4.74,-29.41,;7.31,-29.56,;7.3,-28.02,;8.64,-30.32,;9.97,-29.55,;11.47,-29.16,;11.5,-27.57,;12.56,-26.36,;11.2,-26.81,;11.19,-28.3,;12.5,-28.81,;13.91,-28.49,;15.45,-28.45,;13.95,-26.96,;12.87,-29.75,)| Show InChI InChI=1S/C19H26N2O4S/c1-24-18-21-15(13-3-2-4-25-13)16(26-18)17(22)20-14-11-5-10-6-12(14)9-19(23,7-10)8-11/h10-14,23H,2-9H2,1H3,(H,20,22)/t10?,11?,12?,13-,14-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis				J Med Chem 57: 970-86 (2014) Article DOI: 10.1021/jm4016729 BindingDB Entry DOI: 10.7270/Q2Z32149
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50448693 (CHEMBL3127857) Show SMILES OC12CC3CC(C1)C(NC(=O)c1sc(OC4CC(C4)C#N)nc1[C@H]1CCCO1)C(C3)C2 |r,wD:23.25,TLB:8:7:29:30.1.2,6:1:7.5.4:29,THB:6:5:29:30.1.2,2:1:7:4.3.29,2:3:7:30.6.1,0:1:7:4.3.29,0:1:7.5.4:29,(20.14,-39,;18.6,-39.04,;18.64,-37.51,;17.25,-36.9,;16.19,-38.12,;16.16,-39.71,;17.56,-40.3,;14.66,-40.1,;13.33,-40.87,;12,-40.11,;11.99,-38.57,;10.66,-40.88,;9.43,-39.96,;8.17,-40.84,;6.72,-40.34,;5.61,-41.41,;4.08,-41.4,;4.06,-42.94,;5.6,-42.96,;2.95,-44.01,;1.85,-45.09,;8.63,-42.31,;10.17,-42.34,;11.05,-43.6,;10.56,-45.05,;11.79,-45.98,;13.05,-45.09,;12.6,-43.62,;15.88,-38.85,;15.89,-37.35,;17.19,-39.36,)| Show InChI InChI=1S/C23H29N3O4S/c24-11-13-6-16(7-13)30-22-26-19(17-2-1-3-29-17)20(31-22)21(27)25-18-14-4-12-5-15(18)10-23(28,8-12)9-14/h12-18,28H,1-10H2,(H,25,27)/t12?,13?,14?,15?,16?,17-,18?,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis				J Med Chem 57: 970-86 (2014) Article DOI: 10.1021/jm4016729 BindingDB Entry DOI: 10.7270/Q2Z32149
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047426 (CHEMBL3319400) Show SMILES CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)-n3cccc3)sc2c1 Show InChI InChI=1S/C26H28ClN5O4S2/c1-3-31(4-2)12-7-15-38(35,36)19-9-11-22-23(17-19)37-26(28-22)30-25(34)29-24(33)20-16-18(8-10-21(20)27)32-13-5-6-14-32/h5-6,8-11,13-14,16-17H,3-4,7,12,15H2,1-2H3,(H2,28,29,30,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50448731 (CHEMBL3127868) Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4CC4)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:8:7:25:26.1.2,6:1:7.5.4:25,THB:6:5:25:26.1.2,2:1:7:4.3.25,2:3:7:26.6.1,0:1:7:4.3.25,0:1:7.5.4:25,(19.29,-27.92,;17.75,-27.95,;17.79,-26.42,;16.4,-25.82,;15.34,-27.03,;15.31,-28.62,;16.72,-29.21,;13.81,-29.01,;12.48,-29.79,;11.15,-29.02,;11.14,-27.48,;9.82,-29.8,;8.59,-28.87,;7.33,-29.76,;5.87,-29.26,;4.71,-30.27,;3.25,-29.77,;2.23,-28.61,;1.73,-30.06,;7.78,-31.23,;9.32,-31.26,;10.21,-32.51,;10.34,-34.04,;11.6,-33.16,;15.03,-27.76,;15.04,-26.27,;16.35,-28.27,)| Show InChI InChI=1S/C21H28N2O3S/c24-19(22-16-14-5-12-6-15(16)9-21(25,7-12)8-14)18-17(13-3-4-13)23-20(27-18)26-10-11-1-2-11/h11-16,25H,1-10H2,(H,22,24)/t12?,14?,15?,16-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis				J Med Chem 57: 970-86 (2014) Article DOI: 10.1021/jm4016729 BindingDB Entry DOI: 10.7270/Q2Z32149
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50448704 (CHEMBL3127856) Show SMILES COC[C@H](C)Oc1nc([C@H]2CCCO2)c(s1)C(=O)NC1C2CC3CC1CC(O)(C3)C2 |r,wU:3.3,wD:9.8,TLB:18:19:23:25.26.28,29:26:19.20.21:23,THB:29:20:23:25.26.28,28:26:19:21.22.23,28:22:19:25.29.26,27:26:19:21.22.23,27:26:19.20.21:23,(31.36,-30.47,;32.82,-30.97,;33.98,-29.96,;35.44,-30.46,;35.73,-31.97,;36.6,-29.45,;38.06,-29.95,;38.51,-31.42,;40.05,-31.44,;40.93,-32.7,;40.44,-34.15,;41.67,-35.08,;42.93,-34.19,;42.48,-32.72,;40.55,-29.98,;39.32,-29.06,;41.88,-29.21,;41.87,-27.67,;43.21,-29.97,;44.54,-29.2,;46.04,-28.81,;46.07,-27.22,;47.13,-26.01,;45.78,-26.46,;45.76,-27.95,;47.08,-28.46,;48.48,-28.14,;50.02,-28.1,;48.52,-26.61,;47.45,-29.4,)| Show InChI InChI=1S/C22H32N2O5S/c1-12(11-27-2)29-21-24-18(16-4-3-5-28-16)19(30-21)20(25)23-17-14-6-13-7-15(17)10-22(26,8-13)9-14/h12-17,26H,3-11H2,1-2H3,(H,23,25)/t12-,13?,14?,15?,16+,17?,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis				J Med Chem 57: 970-86 (2014) Article DOI: 10.1021/jm4016729 BindingDB Entry DOI: 10.7270/Q2Z32149
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047474 (CHEMBL3319228) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccc(cc4Cl)-n4ccc(C)n4)sc3c2)CC1 Show InChI InChI=1S/C27H30ClN7O4S2/c1-18-8-10-35(32-18)19-4-6-21(22(28)16-19)25(36)30-26(37)31-27-29-23-7-5-20(17-24(23)40-27)41(38,39)15-3-9-34-13-11-33(2)12-14-34/h4-8,10,16-17H,3,9,11-15H2,1-2H3,(H2,29,30,31,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50448705 (CHEMBL3127855) Show SMILES COCCOc1nc([C@H]2CCCO2)c(s1)C(=O)NC1C2CC3CC1CC(O)(C3)C2 |r,wD:8.7,TLB:17:18:22:24.25.27,28:25:18.19.20:22,THB:28:19:22:24.25.27,27:25:18:20.21.22,27:21:18:24.28.25,26:25:18:20.21.22,26:25:18.19.20:22,(13.52,-30.59,;14.98,-31.09,;16.14,-30.08,;17.6,-30.58,;18.76,-29.57,;20.21,-30.07,;20.66,-31.54,;22.2,-31.57,;23.09,-32.83,;22.6,-34.28,;23.83,-35.2,;25.09,-34.32,;24.64,-32.85,;22.7,-30.11,;21.47,-29.18,;24.03,-29.33,;24.03,-27.79,;25.37,-30.1,;26.7,-29.32,;28.2,-28.94,;28.22,-27.34,;29.29,-26.13,;27.93,-26.58,;27.92,-28.07,;29.23,-28.58,;30.64,-28.26,;32.18,-28.23,;30.68,-26.73,;29.6,-29.52,)| Show InChI InChI=1S/C21H30N2O5S/c1-26-5-6-28-20-23-17(15-3-2-4-27-15)18(29-20)19(24)22-16-13-7-12-8-14(16)11-21(25,9-12)10-13/h12-16,25H,2-11H2,1H3,(H,22,24)/t12?,13?,14?,15-,16?,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis				J Med Chem 57: 970-86 (2014) Article DOI: 10.1021/jm4016729 BindingDB Entry DOI: 10.7270/Q2Z32149
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047475 (CHEMBL3319227) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-n4ccc(C)n4)sc3c2)CC1 Show InChI InChI=1S/C27H30ClN7O4S2/c1-18-8-10-35(32-18)19-4-6-22(28)21(16-19)25(36)30-26(37)31-27-29-23-7-5-20(17-24(23)40-27)41(38,39)15-3-9-34-13-11-33(2)12-14-34/h4-8,10,16-17H,3,9,11-15H2,1-2H3,(H2,29,30,31,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047428 (CHEMBL3319399) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc5n(C)ccc5cc4Cl)sc3c2)CC1 Show InChI InChI=1S/C26H29ClN6O4S2/c1-31-9-11-33(12-10-31)7-3-13-39(36,37)18-4-5-21-23(15-18)38-26(28-21)30-25(35)29-24(34)19-16-22-17(14-20(19)27)6-8-32(22)2/h4-6,8,14-16H,3,7,9-13H2,1-2H3,(H2,28,29,30,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047432 (CHEMBL3319396) Show SMILES COc1cc(Cl)c(cc1-n1cccn1)C(=O)NC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1 Show InChI InChI=1S/C27H30ClN7O5S2/c1-33-10-12-34(13-11-33)8-4-14-42(38,39)18-5-6-21-24(15-18)41-27(30-21)32-26(37)31-25(36)19-16-22(35-9-3-7-29-35)23(40-2)17-20(19)28/h3,5-7,9,15-17H,4,8,10-14H2,1-2H3,(H2,30,31,32,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047478 (CHEMBL3319225) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-n4cccn4)sc3c2)CC1 Show InChI InChI=1S/C26H28ClN7O4S2/c1-32-11-13-33(14-12-32)9-3-15-40(37,38)19-5-7-22-23(17-19)39-26(29-22)31-25(36)30-24(35)20-16-18(4-6-21(20)27)34-10-2-8-28-34/h2,4-8,10,16-17H,3,9,11-15H2,1H3,(H2,29,30,31,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047479 (CHEMBL3319224) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-c4ccccn4)sc3c2)CC1 Show InChI InChI=1S/C28H29ClN6O4S2/c1-34-12-14-35(15-13-34)11-4-16-41(38,39)20-7-9-24-25(18-20)40-28(31-24)33-27(37)32-26(36)21-17-19(6-8-22(21)29)23-5-2-3-10-30-23/h2-3,5-10,17-18H,4,11-16H2,1H3,(H2,31,32,33,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047418 (CHEMBL3319223) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)N4CCOCC4)sc3c2)CC1 Show InChI InChI=1S/C27H33ClN6O5S2/c1-32-8-10-33(11-9-32)7-2-16-41(37,38)20-4-6-23-24(18-20)40-27(29-23)31-26(36)30-25(35)21-17-19(3-5-22(21)28)34-12-14-39-15-13-34/h3-6,17-18H,2,7-16H2,1H3,(H2,29,30,31,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Cathepsin K (Canis familiaris)	BDBM50395256 (CHEMBL2163587) Show SMILES COc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H28N4O3/c1-31-20-8-4-7-15-18-13-28(12-9-19(18)26-21(15)20)23(30)17-6-3-2-5-16(17)22(29)27-24(14-25)10-11-24/h4,7-8,16-17,26H,2-3,5-6,9-13H2,1H3,(H,27,29)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of dog recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047687 (CHEMBL3319406) Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCCC3)sc2c1 Show InChI InChI=1S/C25H28ClN5O4S2/c1-30-12-8-17(9-13-30)37(34,35)18-5-7-21-22(15-18)36-25(27-21)29-24(33)28-23(32)19-14-16(4-6-20(19)26)31-10-2-3-11-31/h4-7,14-15,17H,2-3,8-13H2,1H3,(H2,27,28,29,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50225079 (CHEMBL250569 | N-((S)-2-(2-(1-(7-aza-bicyclo[2.2.1...) Show SMILES C[C@H](CNC(=O)N1CCC(C1)c1ccccc1)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:28:30:32.33:35.36| Show InChI InChI=1S/C38H46N4O2S/c1-23-17-24(2)19-28(18-23)34-33(25(3)21-39-37(44)41-16-15-27(22-41)26-9-7-6-8-10-26)31-20-32(45-35(31)40-34)38(4,5)36(43)42-29-11-12-30(42)14-13-29/h6-10,17-20,25,27,29-30,40H,11-16,21-22H2,1-5H3,(H,39,44)/t25-,27?,29?,30?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Displacement of [125I]D-Trp from rat GnRH receptor				Bioorg Med Chem Lett 17: 6448-54 (2007) Article DOI: 10.1016/j.bmcl.2007.09.099 BindingDB Entry DOI: 10.7270/Q26D5SQF
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395236 (CHEMBL2163360) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ncccc3c2C1 |r| Show InChI InChI=1S/C22H25N5O2/c23-13-22(8-9-22)26-20(28)15-4-1-2-5-16(15)21(29)27-11-7-18-17(12-27)14-6-3-10-24-19(14)25-18/h3,6,10,15-16H,1-2,4-5,7-9,11-12H2,(H,24,25)(H,26,28)/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395235 (CHEMBL2164670) Show SMILES COc1ccccc1C(NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1)C#N |r| Show InChI InChI=1S/C28H33FN4O3/c1-36-26-9-5-4-8-24(26)25(18-30)31-27(34)22-6-2-3-7-23(22)28(35)33-16-14-32(15-17-33)19-20-10-12-21(29)13-11-20/h4-5,8-13,22-23,25H,2-3,6-7,14-17,19H2,1H3,(H,31,34)/t22-,23-,25?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395254 (CHEMBL2164682) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 |r| Show InChI InChI=1S/C23H26N4O2/c24-14-23(10-11-23)26-21(28)16-6-1-2-7-17(16)22(29)27-12-9-20-18(13-27)15-5-3-4-8-19(15)25-20/h3-5,8,16-17,25H,1-2,6-7,9-13H2,(H,26,28)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047416 (CHEMBL3319215) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 Show InChI InChI=1S/C23H26ClN5O4S2/c1-28-10-12-29(13-11-28)9-4-14-35(32,33)16-7-8-19-20(15-16)34-23(25-19)27-22(31)26-21(30)17-5-2-3-6-18(17)24/h2-3,5-8,15H,4,9-14H2,1H3,(H2,25,26,27,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047434 (CHEMBL3319229) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-n4nc(C)cc4C)sc3c2)CC1 Show InChI InChI=1S/C28H32ClN7O4S2/c1-18-15-19(2)36(33-18)20-5-7-23(29)22(16-20)26(37)31-27(38)32-28-30-24-8-6-21(17-25(24)41-28)42(39,40)14-4-9-35-12-10-34(3)11-13-35/h5-8,15-17H,4,9-14H2,1-3H3,(H2,30,31,32,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50448734 (CHEMBL3127865) Show SMILES COC[C@H](C)Oc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:24.27,3.3,wD:17.18,TLB:16:17:21:23.24.26,27:24:17.18.19:21,THB:27:18:21:23.24.26,26:24:17:19.20.21,26:20:17:23.27.24,25:24:17:19.20.21,25:24:17.18.19:21,(1.68,-19.21,;3.13,-19.71,;4.29,-18.7,;5.75,-19.2,;6.05,-20.71,;6.91,-18.18,;8.37,-18.68,;8.82,-20.16,;10.36,-20.18,;11.25,-21.43,;11.39,-22.97,;12.65,-22.08,;10.86,-18.72,;9.63,-17.8,;12.19,-17.95,;12.18,-16.41,;13.53,-18.71,;14.86,-17.94,;16.36,-17.55,;16.38,-15.96,;17.44,-14.74,;16.09,-15.2,;16.07,-16.69,;17.39,-17.2,;18.8,-16.88,;20.34,-16.84,;18.84,-15.35,;17.76,-18.14,)| Show InChI InChI=1S/C21H30N2O4S/c1-11(10-26-2)27-20-23-17(13-3-4-13)18(28-20)19(24)22-16-14-5-12-6-15(16)9-21(25,7-12)8-14/h11-16,25H,3-10H2,1-2H3,(H,22,24)/t11-,12?,14?,15?,16-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis				J Med Chem 57: 970-86 (2014) Article DOI: 10.1021/jm4016729 BindingDB Entry DOI: 10.7270/Q2Z32149
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50448733 (CHEMBL3127866) Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(O[C@@H]4CCCO4)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,15.15,TLB:8:7:26:27.1.2,6:1:7.5.4:26,THB:6:5:26:27.1.2,2:1:7:4.3.26,2:3:7:27.6.1,0:1:7:4.3.26,0:1:7.5.4:26,(39.73,-16.8,;38.19,-16.84,;38.23,-15.31,;36.84,-14.7,;35.78,-15.92,;35.75,-17.51,;37.16,-18.1,;34.25,-17.9,;32.92,-18.67,;31.59,-17.91,;31.58,-16.37,;30.26,-18.68,;29.03,-17.76,;27.77,-18.64,;26.31,-18.14,;25.07,-19.06,;25.08,-20.61,;23.62,-21.09,;22.71,-19.85,;23.6,-18.6,;28.22,-20.12,;29.76,-20.14,;30.65,-21.39,;30.78,-22.93,;32.04,-22.04,;35.47,-16.65,;35.49,-15.16,;36.79,-17.16,)| Show InChI InChI=1S/C21H28N2O4S/c24-19(22-16-13-6-11-7-14(16)10-21(25,8-11)9-13)18-17(12-3-4-12)23-20(28-18)27-15-2-1-5-26-15/h11-16,25H,1-10H2,(H,22,24)/t11?,13?,14?,15-,16-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis				J Med Chem 57: 970-86 (2014) Article DOI: 10.1021/jm4016729 BindingDB Entry DOI: 10.7270/Q2Z32149
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50448701 (CHEMBL3127861) Show SMILES CC(C)Oc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:22.25,wD:15.16,TLB:14:15:19:21.22.24,25:22:15.16.17:19,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(39.67,-54.36,;41.13,-54.86,;41.43,-56.37,;42.29,-53.85,;43.75,-54.35,;44.2,-55.82,;45.74,-55.85,;46.63,-57.1,;46.77,-58.63,;48.03,-57.75,;46.24,-54.39,;45.01,-53.47,;47.57,-53.61,;47.56,-52.07,;48.91,-54.38,;50.24,-53.6,;51.74,-53.22,;51.76,-51.63,;52.82,-50.41,;51.47,-50.86,;51.45,-52.35,;52.77,-52.87,;54.18,-52.54,;55.71,-52.51,;54.21,-51.01,;53.14,-53.8,)| Show InChI InChI=1S/C20H28N2O3S/c1-10(2)25-19-22-16(12-3-4-12)17(26-19)18(23)21-15-13-5-11-6-14(15)9-20(24,7-11)8-13/h10-15,24H,3-9H2,1-2H3,(H,21,23)/t11?,13?,14?,15-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis				J Med Chem 57: 970-86 (2014) Article DOI: 10.1021/jm4016729 BindingDB Entry DOI: 10.7270/Q2Z32149
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50448697 (CHEMBL3127858) Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OC4CCOCC4)nc1[C@H]1CCCO1)C(C3)C2 |r,wU:1.0,wD:7.8,23.25,TLB:8:7:29:30.1.2,6:1:7.5.4:29,THB:6:5:29:30.1.2,2:1:7:4.3.29,2:3:7:30.6.1,0:1:7:4.3.29,0:1:7.5.4:29,(41.98,-39.31,;40.44,-39.34,;40.47,-37.81,;39.08,-37.21,;38.02,-38.42,;38,-40.01,;39.4,-40.6,;36.5,-40.4,;35.17,-41.18,;33.83,-40.41,;33.82,-38.87,;32.5,-41.19,;31.27,-40.26,;30.01,-41.15,;28.55,-40.65,;27.22,-41.43,;25.89,-40.66,;24.57,-41.43,;24.57,-42.97,;25.91,-43.74,;27.24,-42.97,;30.46,-42.62,;32,-42.64,;32.88,-43.9,;32.39,-45.36,;33.62,-46.28,;34.88,-45.4,;34.43,-43.92,;37.71,-39.15,;37.73,-37.66,;39.03,-39.66,)| Show InChI InChI=1S/C23H32N2O5S/c26-21(24-18-14-8-13-9-15(18)12-23(27,10-13)11-14)20-19(17-2-1-5-29-17)25-22(31-20)30-16-3-6-28-7-4-16/h13-18,27H,1-12H2,(H,24,26)/t13?,14?,15?,17-,18-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis				J Med Chem 57: 970-86 (2014) Article DOI: 10.1021/jm4016729 BindingDB Entry DOI: 10.7270/Q2Z32149
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50448702 (CHEMBL3127860) Show SMILES CCOc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.24,wD:14.15,TLB:13:14:18:20.21.23,24:21:14.15.16:18,THB:24:15:18:20.21.23,23:21:14:16.17.18,23:17:14:20.24.21,22:21:14:16.17.18,22:21:14.15.16:18,(18.99,-53.98,;20.45,-54.48,;21.61,-53.47,;23.07,-53.97,;23.52,-55.44,;25.06,-55.47,;25.95,-56.72,;26.09,-58.25,;27.35,-57.37,;25.56,-54.01,;24.33,-53.09,;26.89,-53.23,;26.88,-51.69,;28.23,-54,;29.56,-53.22,;31.06,-52.84,;31.08,-51.25,;32.14,-50.03,;30.79,-50.48,;30.77,-51.97,;32.09,-52.49,;33.5,-52.16,;35.04,-52.13,;33.53,-50.63,;32.46,-53.42,)| Show InChI InChI=1S/C19H26N2O3S/c1-2-24-18-21-15(11-3-4-11)16(25-18)17(22)20-14-12-5-10-6-13(14)9-19(23,7-10)8-12/h10-14,23H,2-9H2,1H3,(H,20,22)/t10?,12?,13?,14-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis				J Med Chem 57: 970-86 (2014) Article DOI: 10.1021/jm4016729 BindingDB Entry DOI: 10.7270/Q2Z32149
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395238 (CHEMBL2163589) Show SMILES FC(F)(F)Oc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H25F3N4O3/c25-24(26,27)34-19-7-3-6-14-17-12-31(11-8-18(17)29-20(14)19)22(33)16-5-2-1-4-15(16)21(32)30-23(13-28)9-10-23/h3,6-7,15-16,29H,1-2,4-5,8-12H2,(H,30,32)/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395241 (CHEMBL2163585) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3c(cccc3c2C1)C#N |r| Show InChI InChI=1S/C24H25N5O2/c25-12-15-4-3-7-16-19-13-29(11-8-20(19)27-21(15)16)23(31)18-6-2-1-5-17(18)22(30)28-24(14-26)9-10-24/h3-4,7,17-18,27H,1-2,5-6,8-11,13H2,(H,28,30)/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395244 (CHEMBL2163582) Show SMILES Clc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H25ClN4O2/c24-18-7-3-6-14-17-12-28(11-8-19(17)26-20(14)18)22(30)16-5-2-1-4-15(16)21(29)27-23(13-25)9-10-23/h3,6-7,15-16,26H,1-2,4-5,8-12H2,(H,27,29)/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395228 (CHEMBL2164674) Show SMILES O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2C1 |r| Show InChI InChI=1S/C19H23N3O2/c20-10-11-21-18(23)16-7-3-4-8-17(16)19(24)22-12-9-14-5-1-2-6-15(14)13-22/h1-2,5-6,16-17H,3-4,7-9,11-13H2,(H,21,23)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50225079 (CHEMBL250569 | N-((S)-2-(2-(1-(7-aza-bicyclo[2.2.1...) Show SMILES C[C@H](CNC(=O)N1CCC(C1)c1ccccc1)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:28:30:32.33:35.36| Show InChI InChI=1S/C38H46N4O2S/c1-23-17-24(2)19-28(18-23)34-33(25(3)21-39-37(44)41-16-15-27(22-41)26-9-7-6-8-10-26)31-20-32(45-35(31)40-34)38(4,5)36(43)42-29-11-12-30(42)14-13-29/h6-10,17-20,25,27,29-30,40H,11-16,21-22H2,1-5H3,(H,39,44)/t25-,27?,29?,30?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells				Bioorg Med Chem Lett 17: 6448-54 (2007) Article DOI: 10.1016/j.bmcl.2007.09.099 BindingDB Entry DOI: 10.7270/Q26D5SQF
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50448699 (CHEMBL3127863) Show SMILES COCCOc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:23.26,wD:16.17,TLB:15:16:20:22.23.25,26:23:16.17.18:20,THB:26:17:20:22.23.25,25:23:16:18.19.20,25:19:16:22.26.23,24:23:16:18.19.20,24:23:16.17.18:20,(21.81,-7.27,;23.26,-7.77,;24.42,-6.76,;25.88,-7.26,;27.04,-6.24,;28.5,-6.74,;28.95,-8.22,;30.49,-8.24,;31.38,-9.49,;31.52,-11.03,;32.78,-10.14,;30.99,-6.78,;29.76,-5.86,;32.32,-6.01,;32.31,-4.47,;33.66,-6.77,;34.99,-6,;36.49,-5.61,;36.51,-4.02,;37.57,-2.8,;36.22,-3.26,;36.2,-4.75,;37.52,-5.26,;38.93,-4.94,;40.47,-4.9,;38.96,-3.41,;37.89,-6.2,)| Show InChI InChI=1S/C20H28N2O4S/c1-25-4-5-26-19-22-16(12-2-3-12)17(27-19)18(23)21-15-13-6-11-7-14(15)10-20(24,8-11)9-13/h11-15,24H,2-10H2,1H3,(H,21,23)/t11?,13?,14?,15-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis				J Med Chem 57: 970-86 (2014) Article DOI: 10.1021/jm4016729 BindingDB Entry DOI: 10.7270/Q2Z32149
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047423 (CHEMBL3319402) Show SMILES CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCOCC3)sc2c1 Show InChI InChI=1S/C26H32ClN5O5S2/c1-3-31(4-2)10-5-15-39(35,36)19-7-9-22-23(17-19)38-26(28-22)30-25(34)29-24(33)20-16-18(6-8-21(20)27)32-11-13-37-14-12-32/h6-9,16-17H,3-5,10-15H2,1-2H3,(H2,28,29,30,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397138 (CHEMBL2172003) Show SMILES COc1cc(ccc1C1CC1)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C27H36N4O3/c1-18-16-30(20-9-10-21(19-7-8-19)24(15-20)34-2)13-14-31(18)26(33)23-6-4-3-5-22(23)25(32)29-27(17-28)11-12-27/h9-10,15,18-19,22-23H,3-8,11-14,16H2,1-2H3,(H,29,32)/t18-,22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395250 (CHEMBL2164687) Show SMILES Clc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H25ClN4O2/c24-14-5-6-19-17(11-14)18-12-28(10-7-20(18)26-19)22(30)16-4-2-1-3-15(16)21(29)27-23(13-25)8-9-23/h5-6,11,15-16,26H,1-4,7-10,12H2,(H,27,29)/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395251 (CHEMBL2164686) Show SMILES Cn1c2CCN(Cc2c2c(F)c(F)ccc12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H26F2N4O2/c1-29-18-8-11-30(12-16(18)20-19(29)7-6-17(25)21(20)26)23(32)15-5-3-2-4-14(15)22(31)28-24(13-27)9-10-24/h6-7,14-15H,2-5,8-12H2,1H3,(H,28,31)/t14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50225090 (CHEMBL399856 | isopropyl ((S)-2-(2-(1-(7-aza-bicyc...) Show SMILES CC(C)OC(=O)N=C(NC[C@@H](C)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1)N1CCC(C1)c1ccncc1 |w:6.5,THB:23:25:27.28:30.31| Show InChI InChI=1S/C41H52N6O3S/c1-24(2)50-40(49)45-39(46-17-14-29(23-46)28-12-15-42-16-13-28)43-22-27(5)35-33-21-34(41(6,7)38(48)47-31-8-9-32(47)11-10-31)51-37(33)44-36(35)30-19-25(3)18-26(4)20-30/h12-13,15-16,18-21,24,27,29,31-32,44H,8-11,14,17,22-23H2,1-7H3,(H,43,45,49)/t27-,29?,31?,32?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after...				Bioorg Med Chem Lett 17: 6448-54 (2007) Article DOI: 10.1016/j.bmcl.2007.09.099 BindingDB Entry DOI: 10.7270/Q26D5SQF
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50225078 (CHEMBL400739 | methyl ((S)-2-(2-(1-(7-aza-bicyclo[...) Show SMILES COC(=O)N=C(NC[C@@H](C)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1)N1CCC(C1)c1ccncc1 |w:4.3,THB:21:23:25.26:28.29| Show InChI InChI=1S/C39H48N6O3S/c1-23-17-24(2)19-28(18-23)34-33(31-20-32(49-35(31)42-34)39(4,5)36(46)45-29-7-8-30(45)10-9-29)25(3)21-41-37(43-38(47)48-6)44-16-13-27(22-44)26-11-14-40-15-12-26/h11-12,14-15,17-20,25,27,29-30,42H,7-10,13,16,21-22H2,1-6H3,(H,41,43,47)/t25-,27?,29?,30?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after...				Bioorg Med Chem Lett 17: 6448-54 (2007) Article DOI: 10.1016/j.bmcl.2007.09.099 BindingDB Entry DOI: 10.7270/Q26D5SQF
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395243 (CHEMBL2163583) Show SMILES Cc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H28N4O2/c1-15-5-4-8-16-19-13-28(12-9-20(19)26-21(15)16)23(30)18-7-3-2-6-17(18)22(29)27-24(14-25)10-11-24/h4-5,8,17-18,26H,2-3,6-7,9-13H2,1H3,(H,27,29)/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395234 (CHEMBL2164669) Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC(C#N)c1ccccc1 |r| Show InChI InChI=1S/C26H29FN4O2/c27-20-10-12-21(13-11-20)30-14-16-31(17-15-30)26(33)23-9-5-4-8-22(23)25(32)29-24(18-28)19-6-2-1-3-7-19/h1-3,6-7,10-13,22-24H,4-5,8-9,14-17H2,(H,29,32)/t22-,23-,24?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair

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