Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'cheetham' and Initial = 'j'   

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
Procathepsin L (Homo sapiens (Human))	BDBM50137388 (((R)-2-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C34H44N4O3/c1-26(2)32(37-34(40)41-25-28-14-8-4-9-15-28)33(39)36-30(17-16-27-12-6-3-7-13-27)24-35-29-18-20-31(21-19-29)38-22-10-5-11-23-38/h3-4,6-9,12-15,18-21,26,30,32,35H,5,10-11,16-17,22-25H2,1-2H3,(H,36,39)(H,37,40)/t30-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137394 (((R)-2-(3H-Indol-3-yl)-1-{3-phenyl-1-[(4-piperidin...) Show SMILES O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1 Show InChI InChI=1S/C40H45N5O3/c46-39(38(26-32-27-42-37-17-9-8-16-36(32)37)44-40(47)48-29-31-14-6-2-7-15-31)43-34(19-18-30-12-4-1-5-13-30)28-41-33-20-22-35(23-21-33)45-24-10-3-11-25-45/h1-2,4-9,12-17,20-23,27,34,38,41-42H,3,10-11,18-19,24-26,28-29H2,(H,43,46)(H,44,47)/t34-,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137400 (((R)-2-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1 Show InChI InChI=1S/C38H44N4O3/c43-37(36(27-31-15-7-2-8-16-31)41-38(44)45-29-32-17-9-3-10-18-32)40-34(20-19-30-13-5-1-6-14-30)28-39-33-21-23-35(24-22-33)42-25-11-4-12-26-42/h1-3,5-10,13-18,21-24,34,36,39H,4,11-12,19-20,25-29H2,(H,40,43)(H,41,44)/t34-,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137398 (((R)-2-(4-Hydroxy-phenyl)-1-{3-phenyl-1-[(4-piperi...) Show SMILES Oc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)CNc2ccc(cc2)N2CCCCC2)cc1 Show InChI InChI=1S/C38H44N4O4/c43-35-22-15-30(16-23-35)26-36(41-38(45)46-28-31-12-6-2-7-13-31)37(44)40-33(17-14-29-10-4-1-5-11-29)27-39-32-18-20-34(21-19-32)42-24-8-3-9-25-42/h1-2,4-7,10-13,15-16,18-23,33,36,39,43H,3,8-9,14,17,24-28H2,(H,40,44)(H,41,45)/t33-,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137392 (CHEMBL99195 | [(S)-1-((S)-1-Formyl-3-methylsulfany...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C19H28N2O4S/c1-14(2)11-17(18(23)20-16(12-22)9-10-26-3)21-19(24)25-13-15-7-5-4-6-8-15/h4-8,12,14,16-17H,9-11,13H2,1-3H3,(H,20,23)(H,21,24)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137393 (CHEMBL353725 | {(S)-1-[(S)-1-Benzyl-2-(4-piperidin...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(cc1)N1CCCCC1)Cc1ccccc1 Show InChI InChI=1S/C34H44N4O3/c1-26(2)22-32(37-34(40)41-25-28-14-8-4-9-15-28)33(39)36-30(23-27-12-6-3-7-13-27)24-35-29-16-18-31(19-17-29)38-20-10-5-11-21-38/h3-4,6-9,12-19,26,30,32,35H,5,10-11,20-25H2,1-2H3,(H,36,39)(H,37,40)/t30-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137395 (CHEMBL170242 | {(S)-1-[(S)-1-Benzyl-2-(4-morpholin...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(cc1)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C33H42N4O4/c1-25(2)21-31(36-33(39)41-24-27-11-7-4-8-12-27)32(38)35-29(22-26-9-5-3-6-10-26)23-34-28-13-15-30(16-14-28)37-17-19-40-20-18-37/h3-16,25,29,31,34H,17-24H2,1-2H3,(H,35,38)(H,36,39)/t29-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137389 (((R)-3-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C35H46N4O3/c1-27(2)24-33(38-35(41)42-26-29-14-8-4-9-15-29)34(40)37-31(17-16-28-12-6-3-7-13-28)25-36-30-18-20-32(21-19-30)39-22-10-5-11-23-39/h3-4,6-9,12-15,18-21,27,31,33,36H,5,10-11,16-17,22-26H2,1-2H3,(H,37,40)(H,38,41)/t31-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137400 (((R)-2-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1 Show InChI InChI=1S/C38H44N4O3/c43-37(36(27-31-15-7-2-8-16-31)41-38(44)45-29-32-17-9-3-10-18-32)40-34(20-19-30-13-5-1-6-14-30)28-39-33-21-23-35(24-22-33)42-25-11-4-12-26-42/h1-3,5-10,13-18,21-24,34,36,39H,4,11-12,19-20,25-29H2,(H,40,43)(H,41,44)/t34-,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137390 (((R)-3-Methylsulfanyl-1-{3-phenyl-1-[(4-piperidin-...) Show SMILES CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C34H44N4O3S/c1-42-24-21-32(37-34(40)41-26-28-13-7-3-8-14-28)33(39)36-30(16-15-27-11-5-2-6-12-27)25-35-29-17-19-31(20-18-29)38-22-9-4-10-23-38/h2-3,5-8,11-14,17-20,30,32,35H,4,9-10,15-16,21-26H2,1H3,(H,36,39)(H,37,40)/t30-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137388 (((R)-2-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C34H44N4O3/c1-26(2)32(37-34(40)41-25-28-14-8-4-9-15-28)33(39)36-30(17-16-27-12-6-3-7-13-27)24-35-29-18-20-31(21-19-29)38-22-10-5-11-23-38/h3-4,6-9,12-15,18-21,26,30,32,35H,5,10-11,16-17,22-25H2,1-2H3,(H,36,39)(H,37,40)/t30-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137389 (((R)-3-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C35H46N4O3/c1-27(2)24-33(38-35(41)42-26-29-14-8-4-9-15-29)34(40)37-31(17-16-28-12-6-3-7-13-28)25-36-30-18-20-32(21-19-30)39-22-10-5-11-23-39/h3-4,6-9,12-15,18-21,27,31,33,36H,5,10-11,16-17,22-26H2,1-2H3,(H,37,40)(H,38,41)/t31-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50137388 (((R)-2-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C34H44N4O3/c1-26(2)32(37-34(40)41-25-28-14-8-4-9-15-28)33(39)36-30(17-16-27-12-6-3-7-13-27)24-35-29-18-20-31(21-19-29)38-22-10-5-11-23-38/h3-4,6-9,12-15,18-21,26,30,32,35H,5,10-11,16-17,22-25H2,1-2H3,(H,36,39)(H,37,40)/t30-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin B				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137398 (((R)-2-(4-Hydroxy-phenyl)-1-{3-phenyl-1-[(4-piperi...) Show SMILES Oc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)CNc2ccc(cc2)N2CCCCC2)cc1 Show InChI InChI=1S/C38H44N4O4/c43-35-22-15-30(16-23-35)26-36(41-38(45)46-28-31-12-6-2-7-13-31)37(44)40-33(17-14-29-10-4-1-5-11-29)27-39-32-18-20-34(21-19-32)42-24-8-3-9-25-42/h1-2,4-7,10-13,15-16,18-23,33,36,39,43H,3,8-9,14,17,24-28H2,(H,40,44)(H,41,45)/t33-,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137387 (((R)-3-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES O=C(N[C@H](CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1 Show InChI InChI=1S/C39H46N4O3/c44-38(37(26-20-32-15-7-2-8-16-32)42-39(45)46-30-33-17-9-3-10-18-33)41-35(21-19-31-13-5-1-6-14-31)29-40-34-22-24-36(25-23-34)43-27-11-4-12-28-43/h1-3,5-10,13-18,22-25,35,37,40H,4,11-12,19-21,26-30H2,(H,41,44)(H,42,45)/t35-,37+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137391 (((R)-1-{3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)...) Show SMILES C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C32H40N4O3/c1-25(34-32(38)39-24-27-13-7-3-8-14-27)31(37)35-29(16-15-26-11-5-2-6-12-26)23-33-28-17-19-30(20-18-28)36-21-9-4-10-22-36/h2-3,5-8,11-14,17-20,25,29,33H,4,9-10,15-16,21-24H2,1H3,(H,34,38)(H,35,37)/t25-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137393 (CHEMBL353725 | {(S)-1-[(S)-1-Benzyl-2-(4-piperidin...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(cc1)N1CCCCC1)Cc1ccccc1 Show InChI InChI=1S/C34H44N4O3/c1-26(2)22-32(37-34(40)41-25-28-14-8-4-9-15-28)33(39)36-30(23-27-12-6-3-7-13-27)24-35-29-16-18-31(19-17-29)38-20-10-5-11-21-38/h3-4,6-9,12-19,26,30,32,35H,5,10-11,20-25H2,1-2H3,(H,36,39)(H,37,40)/t30-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50137390 (((R)-3-Methylsulfanyl-1-{3-phenyl-1-[(4-piperidin-...) Show SMILES CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C34H44N4O3S/c1-42-24-21-32(37-34(40)41-26-28-13-7-3-8-14-28)33(39)36-30(16-15-27-11-5-2-6-12-27)25-35-29-17-19-31(20-18-29)38-22-9-4-10-23-38/h2-3,5-8,11-14,17-20,30,32,35H,4,9-10,15-16,21-26H2,1H3,(H,36,39)(H,37,40)/t30-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin B				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137386 (2-{(S)-3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)C1CCCN1C(=O)OCc1ccccc1 Show InChI InChI=1S/C34H42N4O3/c39-33(32-15-10-24-38(32)34(40)41-26-28-13-6-2-7-14-28)36-30(17-16-27-11-4-1-5-12-27)25-35-29-18-20-31(21-19-29)37-22-8-3-9-23-37/h1-2,4-7,11-14,18-21,30,32,35H,3,8-10,15-17,22-26H2,(H,36,39)/t30-,32?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137387 (((R)-3-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES O=C(N[C@H](CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1 Show InChI InChI=1S/C39H46N4O3/c44-38(37(26-20-32-15-7-2-8-16-32)42-39(45)46-30-33-17-9-3-10-18-33)41-35(21-19-31-13-5-1-6-14-31)29-40-34-22-24-36(25-23-34)43-27-11-4-12-28-43/h1-3,5-10,13-18,22-25,35,37,40H,4,11-12,19-21,26-30H2,(H,41,44)(H,42,45)/t35-,37+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137395 (CHEMBL170242 | {(S)-1-[(S)-1-Benzyl-2-(4-morpholin...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(cc1)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C33H42N4O4/c1-25(2)21-31(36-33(39)41-24-27-11-7-4-8-12-27)32(38)35-29(22-26-9-5-3-6-10-26)23-34-28-13-15-30(16-14-28)37-17-19-40-20-18-37/h3-16,25,29,31,34H,17-24H2,1-2H3,(H,35,38)(H,36,39)/t29-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137397 (CHEMBL341014 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C23H28N2O4/c1-17(2)13-21(25-23(28)29-16-19-11-7-4-8-12-19)22(27)24-20(15-26)14-18-9-5-3-6-10-18/h3-12,15,17,20-21H,13-14,16H2,1-2H3,(H,24,27)(H,25,28)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137401 (CHEMBL171998 | {(S)-1-[(S)-1-Benzyl-2-(biphenyl-4-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(cc1)-c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C35H39N3O3/c1-26(2)22-33(38-35(40)41-25-28-14-8-4-9-15-28)34(39)37-32(23-27-12-6-3-7-13-27)24-36-31-20-18-30(19-21-31)29-16-10-5-11-17-29/h3-21,26,32-33,36H,22-25H2,1-2H3,(H,37,39)(H,38,40)/t32-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137390 (((R)-3-Methylsulfanyl-1-{3-phenyl-1-[(4-piperidin-...) Show SMILES CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C34H44N4O3S/c1-42-24-21-32(37-34(40)41-26-28-13-7-3-8-14-28)33(39)36-30(16-15-27-11-5-2-6-12-27)25-35-29-17-19-31(20-18-29)38-22-9-4-10-23-38/h2-3,5-8,11-14,17-20,30,32,35H,4,9-10,15-16,21-26H2,1H3,(H,36,39)(H,37,40)/t30-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137394 (((R)-2-(3H-Indol-3-yl)-1-{3-phenyl-1-[(4-piperidin...) Show SMILES O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1 Show InChI InChI=1S/C40H45N5O3/c46-39(38(26-32-27-42-37-17-9-8-16-36(32)37)44-40(47)48-29-31-14-6-2-7-15-31)43-34(19-18-30-12-4-1-5-13-30)28-41-33-20-22-35(23-21-33)45-24-10-3-11-25-45/h1-2,4-9,12-17,20-23,27,34,38,41-42H,3,10-11,18-19,24-26,28-29H2,(H,43,46)(H,44,47)/t34-,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50137398 (((R)-2-(4-Hydroxy-phenyl)-1-{3-phenyl-1-[(4-piperi...) Show SMILES Oc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)CNc2ccc(cc2)N2CCCCC2)cc1 Show InChI InChI=1S/C38H44N4O4/c43-35-22-15-30(16-23-35)26-36(41-38(45)46-28-31-12-6-2-7-13-31)37(44)40-33(17-14-29-10-4-1-5-11-29)27-39-32-18-20-34(21-19-32)42-24-8-3-9-25-42/h1-2,4-7,10-13,15-16,18-23,33,36,39,43H,3,8-9,14,17,24-28H2,(H,40,44)(H,41,45)/t33-,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin B				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50137400 (((R)-2-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1 Show InChI InChI=1S/C38H44N4O3/c43-37(36(27-31-15-7-2-8-16-31)41-38(44)45-29-32-17-9-3-10-18-32)40-34(20-19-30-13-5-1-6-14-30)28-39-33-21-23-35(24-22-33)42-25-11-4-12-26-42/h1-3,5-10,13-18,21-24,34,36,39H,4,11-12,19-20,25-29H2,(H,40,43)(H,41,44)/t34-,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin B				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137396 (CHEMBL423447 | [(S)-1-((S)-1-Benzyl-2-phenylamino-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C29H35N3O3/c1-22(2)18-27(32-29(34)35-21-24-14-8-4-9-15-24)28(33)31-26(19-23-12-6-3-7-13-23)20-30-25-16-10-5-11-17-25/h3-17,22,26-27,30H,18-21H2,1-2H3,(H,31,33)(H,32,34)/t26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50137389 (((R)-3-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C35H46N4O3/c1-27(2)24-33(38-35(41)42-26-29-14-8-4-9-15-29)34(40)37-31(17-16-28-12-6-3-7-13-28)25-36-30-18-20-32(21-19-30)39-22-10-5-11-23-39/h3-4,6-9,12-15,18-21,27,31,33,36H,5,10-11,16-17,22-26H2,1-2H3,(H,37,40)(H,38,41)/t31-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	658	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin B				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137401 (CHEMBL171998 | {(S)-1-[(S)-1-Benzyl-2-(biphenyl-4-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(cc1)-c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C35H39N3O3/c1-26(2)22-33(38-35(40)41-25-28-14-8-4-9-15-28)34(39)37-32(23-27-12-6-3-7-13-27)24-36-31-20-18-30(19-21-31)29-16-10-5-11-17-29/h3-21,26,32-33,36H,22-25H2,1-2H3,(H,37,39)(H,38,40)/t32-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	706	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137396 (CHEMBL423447 | [(S)-1-((S)-1-Benzyl-2-phenylamino-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C29H35N3O3/c1-22(2)18-27(32-29(34)35-21-24-14-8-4-9-15-24)28(33)31-26(19-23-12-6-3-7-13-23)20-30-25-16-10-5-11-17-25/h3-17,22,26-27,30H,18-21H2,1-2H3,(H,31,33)(H,32,34)/t26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50137391 (((R)-1-{3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)...) Show SMILES C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C32H40N4O3/c1-25(34-32(38)39-24-27-13-7-3-8-14-27)31(37)35-29(16-15-26-11-5-2-6-12-26)23-33-28-17-19-30(20-18-28)36-21-9-4-10-22-36/h2-3,5-8,11-14,17-20,25,29,33H,4,9-10,15-16,21-24H2,1H3,(H,34,38)(H,35,37)/t25-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin B				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50137394 (((R)-2-(3H-Indol-3-yl)-1-{3-phenyl-1-[(4-piperidin...) Show SMILES O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1 Show InChI InChI=1S/C40H45N5O3/c46-39(38(26-32-27-42-37-17-9-8-16-36(32)37)44-40(47)48-29-31-14-6-2-7-15-31)43-34(19-18-30-12-4-1-5-13-30)28-41-33-20-22-35(23-21-33)45-24-10-3-11-25-45/h1-2,4-9,12-17,20-23,27,34,38,41-42H,3,10-11,18-19,24-26,28-29H2,(H,43,46)(H,44,47)/t34-,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin B				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137391 (((R)-1-{3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)...) Show SMILES C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C32H40N4O3/c1-25(34-32(38)39-24-27-13-7-3-8-14-27)31(37)35-29(16-15-26-11-5-2-6-12-26)23-33-28-17-19-30(20-18-28)36-21-9-4-10-22-36/h2-3,5-8,11-14,17-20,25,29,33H,4,9-10,15-16,21-24H2,1H3,(H,34,38)(H,35,37)/t25-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137386 (2-{(S)-3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)C1CCCN1C(=O)OCc1ccccc1 Show InChI InChI=1S/C34H42N4O3/c39-33(32-15-10-24-38(32)34(40)41-26-28-13-6-2-7-14-28)36-30(17-16-27-11-4-1-5-12-27)25-35-29-18-20-31(21-19-29)37-22-8-3-9-23-37/h1-2,4-7,11-14,18-21,30,32,35H,3,8-10,15-17,22-26H2,(H,36,39)/t30-,32?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50137387 (((R)-3-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES O=C(N[C@H](CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1 Show InChI InChI=1S/C39H46N4O3/c44-38(37(26-20-32-15-7-2-8-16-32)42-39(45)46-30-33-17-9-3-10-18-33)41-35(21-19-31-13-5-1-6-14-31)29-40-34-22-24-36(25-23-34)43-27-11-4-12-28-43/h1-3,5-10,13-18,22-25,35,37,40H,4,11-12,19-21,26-30H2,(H,41,44)(H,42,45)/t35-,37+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin B				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137399 (({3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)-methy...) Show SMILES O=C(CNC(=O)OCc1ccccc1)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C31H38N4O3/c36-30(23-33-31(37)38-24-26-12-6-2-7-13-26)34-28(15-14-25-10-4-1-5-11-25)22-32-27-16-18-29(19-17-27)35-20-8-3-9-21-35/h1-2,4-7,10-13,16-19,28,32H,3,8-9,14-15,20-24H2,(H,33,37)(H,34,36)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50137399 (({3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)-methy...) Show SMILES O=C(CNC(=O)OCc1ccccc1)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C31H38N4O3/c36-30(23-33-31(37)38-24-26-12-6-2-7-13-26)34-28(15-14-25-10-4-1-5-11-25)22-32-27-16-18-29(19-17-27)35-20-8-3-9-21-35/h1-2,4-7,10-13,16-19,28,32H,3,8-9,14-15,20-24H2,(H,33,37)(H,34,36)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin B				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50137386 (2-{(S)-3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)C1CCCN1C(=O)OCc1ccccc1 Show InChI InChI=1S/C34H42N4O3/c39-33(32-15-10-24-38(32)34(40)41-26-28-13-6-2-7-14-28)36-30(17-16-27-11-4-1-5-12-27)25-35-29-18-20-31(21-19-29)37-22-8-3-9-23-37/h1-2,4-7,11-14,18-21,30,32,35H,3,8-10,15-17,22-26H2,(H,36,39)/t30-,32?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin B				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137399 (({3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)-methy...) Show SMILES O=C(CNC(=O)OCc1ccccc1)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C31H38N4O3/c36-30(23-33-31(37)38-24-26-12-6-2-7-13-26)34-28(15-14-25-10-4-1-5-11-25)22-32-27-16-18-29(19-17-27)35-20-8-3-9-21-35/h1-2,4-7,10-13,16-19,28,32H,3,8-9,14-15,20-24H2,(H,33,37)(H,34,36)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50130009 ((4S,15R,18S,21S,24S)-5-((S)-2-Acetylamino-hexanoyl...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O Show InChI InChI=1S/C49H69N13O9/c1-3-4-17-35(56-29(2)63)43(66)61-39-27-41(64)53-22-11-10-19-34(42(50)65)57-46(69)38(26-31-28-55-33-18-9-8-16-32(31)33)59-44(67)36(20-12-23-54-49(51)52)58-45(68)37(25-30-14-6-5-7-15-30)60-47(70)40-21-13-24-62(40)48(39)71/h5-9,14-16,18,28,34-40,55H,3-4,10-13,17,19-27H2,1-2H3,(H2,50,65)(H,53,64)(H,56,63)(H,57,69)(H,58,68)(H,59,67)(H,60,70)(H,61,66)(H4,51,52,54)/t34-,35+,36+,37+,38-,39+,40+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards human melanocortin 4 receptor (hMC4R) using [125I]NDP-alpha-MSH as radioligand				Bioorg Med Chem Lett 13: 2337-40 (2003) BindingDB Entry DOI: 10.7270/Q21G0MTZ
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137392 (CHEMBL99195 | [(S)-1-((S)-1-Formyl-3-methylsulfany...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C19H28N2O4S/c1-14(2)11-17(18(23)20-16(12-22)9-10-26-3)21-19(24)25-13-15-7-5-4-6-8-15/h4-8,12,14,16-17H,9-11,13H2,1-3H3,(H,20,23)(H,21,24)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity of the compound against recombinant human cathepsin L (1.2 nM)				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50130014 ((R)-2-Acetylamino-N-(4-{acetyl-[2-(1H-indol-3-yl)-...) Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(N)=N)C1CCC(CC1)N(CCc1c[nH]c2ccccc12)C(C)=O |wD:4.3,(14.52,1.42,;13.19,.63,;13.2,-.91,;11.84,1.39,;10.51,.61,;10.53,-.94,;11.29,-2.27,;12.81,-2.27,;13.57,-3.59,;12.8,-4.92,;11.27,-4.91,;10.51,-3.59,;9.17,1.37,;9.15,2.91,;7.84,.58,;6.5,1.35,;6.48,2.89,;5.14,3.64,;5.13,5.18,;3.77,5.94,;2.46,5.16,;1.11,5.93,;2.46,3.62,;7.86,-.97,;7.09,-2.32,;5.36,-1.71,;4.19,-2.13,;4.94,-.77,;6.58,-1.39,;2.85,-1.36,;1.52,-2.13,;1.5,-3.67,;.17,-4.43,;-1.24,-3.8,;-2.28,-4.94,;-1.51,-6.27,;-1.99,-7.72,;-.97,-8.88,;.55,-8.57,;1.01,-7.11,;,-5.97,;2.85,.19,;1.52,.96,;4.19,.96,)| Show InChI InChI=1S/C34H47N7O3/c1-24(42)39-32(22-26-10-4-3-5-11-26)33(44)41(20-9-8-19-37-34(35)36)29-16-14-28(15-17-29)40(25(2)43)21-18-27-23-38-31-13-7-6-12-30(27)31/h3-7,10-13,23,28-29,32,38H,8-9,14-22H2,1-2H3,(H,39,42)(H4,35,36,37)/t28?,29?,32-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards human melanocortin 4 receptor (hMC4R) using [125I]NDP-alpha-MSH as radioligand				Bioorg Med Chem Lett 13: 2337-40 (2003) BindingDB Entry DOI: 10.7270/Q21G0MTZ
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50130009 ((4S,15R,18S,21S,24S)-5-((S)-2-Acetylamino-hexanoyl...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O Show InChI InChI=1S/C49H69N13O9/c1-3-4-17-35(56-29(2)63)43(66)61-39-27-41(64)53-22-11-10-19-34(42(50)65)57-46(69)38(26-31-28-55-33-18-9-8-16-32(31)33)59-44(67)36(20-12-23-54-49(51)52)58-45(68)37(25-30-14-6-5-7-15-30)60-47(70)40-21-13-24-62(40)48(39)71/h5-9,14-16,18,28,34-40,55H,3-4,10-13,17,19-27H2,1-2H3,(H2,50,65)(H,53,64)(H,56,63)(H,57,69)(H,58,68)(H,59,67)(H,60,70)(H,61,66)(H4,51,52,54)/t34-,35+,36+,37+,38-,39+,40+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards human melanocortin 3 receptor (hMC3R) using [125I]NDP-alpha-MSH as radioligand				Bioorg Med Chem Lett 13: 2337-40 (2003) BindingDB Entry DOI: 10.7270/Q21G0MTZ
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50130014 ((R)-2-Acetylamino-N-(4-{acetyl-[2-(1H-indol-3-yl)-...) Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(N)=N)C1CCC(CC1)N(CCc1c[nH]c2ccccc12)C(C)=O |wD:4.3,(14.52,1.42,;13.19,.63,;13.2,-.91,;11.84,1.39,;10.51,.61,;10.53,-.94,;11.29,-2.27,;12.81,-2.27,;13.57,-3.59,;12.8,-4.92,;11.27,-4.91,;10.51,-3.59,;9.17,1.37,;9.15,2.91,;7.84,.58,;6.5,1.35,;6.48,2.89,;5.14,3.64,;5.13,5.18,;3.77,5.94,;2.46,5.16,;1.11,5.93,;2.46,3.62,;7.86,-.97,;7.09,-2.32,;5.36,-1.71,;4.19,-2.13,;4.94,-.77,;6.58,-1.39,;2.85,-1.36,;1.52,-2.13,;1.5,-3.67,;.17,-4.43,;-1.24,-3.8,;-2.28,-4.94,;-1.51,-6.27,;-1.99,-7.72,;-.97,-8.88,;.55,-8.57,;1.01,-7.11,;,-5.97,;2.85,.19,;1.52,.96,;4.19,.96,)| Show InChI InChI=1S/C34H47N7O3/c1-24(42)39-32(22-26-10-4-3-5-11-26)33(44)41(20-9-8-19-37-34(35)36)29-16-14-28(15-17-29)40(25(2)43)21-18-27-23-38-31-13-7-6-12-30(27)31/h3-7,10-13,23,28-29,32,38H,8-9,14-22H2,1-2H3,(H,39,42)(H4,35,36,37)/t28?,29?,32-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards mouse Melanocortin 1 receptor (mMC1R) using [125I]NDP-alpha-MSH as radioligand				Bioorg Med Chem Lett 13: 2337-40 (2003) BindingDB Entry DOI: 10.7270/Q21G0MTZ
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50122512 (3-{4-[2-(4-Fluoro-phenyl)-2-(4-methyl-piperazin-1-...) Show SMILES CC(CN1CCN(CC(N2CCN(C)CC2)c2ccc(F)cc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H37FN4O/c1-22(27(33)24-6-4-3-5-7-24)20-30-14-16-31(17-15-30)21-26(23-8-10-25(28)11-9-23)32-18-12-29(2)13-19-32/h3-11,22,26H,12-21H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description In vitro ability to inhibit the binding of [125I]-AGRP to the human Melanocortin 4 receptor				J Med Chem 46: 9-11 (2002) Article DOI: 10.1021/jm0255522 BindingDB Entry DOI: 10.7270/Q2SQ8ZQ1
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50122513 (1-(4-Chloro-phenyl)-3-{4-[2-(4-chloro-phenyl)-2-(4...) Show SMILES CC(CN1CCN(CC(N2CCN(C)CC2)c2ccc(Cl)cc2)CC1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H36Cl2N4O/c1-21(27(34)23-5-9-25(29)10-6-23)19-31-13-15-32(16-14-31)20-26(22-3-7-24(28)8-4-22)33-17-11-30(2)12-18-33/h3-10,21,26H,11-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description In vitro ability to inhibit the binding of [125I]-AGRP to the human Melanocortin 4 receptor				J Med Chem 46: 9-11 (2002) Article DOI: 10.1021/jm0255522 BindingDB Entry DOI: 10.7270/Q2SQ8ZQ1
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50122513 (1-(4-Chloro-phenyl)-3-{4-[2-(4-chloro-phenyl)-2-(4...) Show SMILES CC(CN1CCN(CC(N2CCN(C)CC2)c2ccc(Cl)cc2)CC1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H36Cl2N4O/c1-21(27(34)23-5-9-25(29)10-6-23)19-31-13-15-32(16-14-31)20-26(22-3-7-24(28)8-4-22)33-17-11-30(2)12-18-33/h3-10,21,26H,11-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description In vitro ability to inhibit the binding of alpha [125I]-NDP-MSH to the human Melanocortin 4 receptor				J Med Chem 46: 9-11 (2002) Article DOI: 10.1021/jm0255522 BindingDB Entry DOI: 10.7270/Q2SQ8ZQ1
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50122508 (3-{4-[2-(4-Cyclohexyl-piperazin-1-yl)-2-(4-fluoro-...) Show SMILES CC(CN1CCN(CC(N2CCN(CC2)C2CCCCC2)c2ccc(F)cc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C32H45FN4O/c1-26(32(38)28-8-4-2-5-9-28)24-34-16-18-35(19-17-34)25-31(27-12-14-29(33)15-13-27)37-22-20-36(21-23-37)30-10-6-3-7-11-30/h2,4-5,8-9,12-15,26,30-31H,3,6-7,10-11,16-25H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description In vitro ability to inhibit the binding of [125I]-AGRP to the human Melanocortin 4 receptor				J Med Chem 46: 9-11 (2002) Article DOI: 10.1021/jm0255522 BindingDB Entry DOI: 10.7270/Q2SQ8ZQ1
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50122508 (3-{4-[2-(4-Cyclohexyl-piperazin-1-yl)-2-(4-fluoro-...) Show SMILES CC(CN1CCN(CC(N2CCN(CC2)C2CCCCC2)c2ccc(F)cc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C32H45FN4O/c1-26(32(38)28-8-4-2-5-9-28)24-34-16-18-35(19-17-34)25-31(27-12-14-29(33)15-13-27)37-22-20-36(21-23-37)30-10-6-3-7-11-30/h2,4-5,8-9,12-15,26,30-31H,3,6-7,10-11,16-25H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description In vitro ability to inhibit the binding of alpha [125I]-NDP-MSH to the human Melanocortin 4 receptor				J Med Chem 46: 9-11 (2002) Article DOI: 10.1021/jm0255522 BindingDB Entry DOI: 10.7270/Q2SQ8ZQ1
					More data for this Ligand-Target Pair

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