Compile Data Set for Download or QSAR

Found 2061 hits with Last Name = 'altmann' and Initial = 'e'   

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
Cathepsin K (Homo sapiens (Human))	BDBM50113662 (1-(2,3-Dichloro-phenyl)-1H-[1,2,4]triazole-3-carbo...) Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ncn(n2)-c2cccc(Cl)c2Cl)cc1 Show InChI InChI=1S/C24H28Cl2N6O3/c1-15(2)13-19(23(33)28-12-11-27-16-7-9-17(35-3)10-8-16)30-24(34)22-29-14-32(31-22)20-6-4-5-18(25)21(20)26/h4-10,14-15,19,27H,11-13H2,1-3H3,(H,28,33)(H,30,34)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Eq. constant (Ki) for inhibition of Cathepsin K was determined by progress curves, following hydrolysis of Z-Phe-Arg- Amc in the absence and presence...				J Med Chem 45: 2352-4 (2002) BindingDB Entry DOI: 10.7270/Q2DV1J73
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50113667 (4-Benzyloxy-N-{1-[2-(4-methoxy-phenylamino)-ethylc...) Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C29H35N3O4/c1-21(2)19-27(29(34)31-18-17-30-24-11-15-25(35-3)16-12-24)32-28(33)23-9-13-26(14-10-23)36-20-22-7-5-4-6-8-22/h4-16,21,27,30H,17-20H2,1-3H3,(H,31,34)(H,32,33)/t27-/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
TBA Curated by ChEMBL					Assay Description Eq. constant (Ki) for inhibition of Cathepsin K was determined by progress curves, following hydrolysis of Z-Phe-Arg- Amc in the absence and presence...				J Med Chem 45: 2352-4 (2002) BindingDB Entry DOI: 10.7270/Q2DV1J73
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19737 (2-Cyano-pyrimidine, 17b | 2-cyano-4-[(2,2-dimethyl...) Show SMILES COc1cccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)c1 Show InChI InChI=1S/C20H25N5O2/c1-20(2,3)13-24-18-16(12-23-17(11-21)25-18)19(26)22-9-8-14-6-5-7-15(10-14)27-4/h5-7,10,12H,8-9,13H2,1-4H3,(H,22,26)(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.00300	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19736 (2-Cyano-pyrimidine, 17a | 2-cyano-4-[(2,2-dimethyl...) Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1 Show InChI InChI=1S/C20H25N5O2/c1-20(2,3)13-24-18-16(12-23-17(11-21)25-18)19(26)22-10-9-14-5-7-15(27-4)8-6-14/h5-8,12H,9-10,13H2,1-4H3,(H,22,26)(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.00300	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19744 (2-Cyano-pyrimidine, 17i | 2-cyano-4-[(2,2-dimethyl...) Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1cccc(OCCn2ccnc2)c1)C#N Show InChI InChI=1S/C24H29N7O2/c1-24(2,3)16-29-22-20(15-28-21(14-25)30-22)23(32)27-8-7-18-5-4-6-19(13-18)33-12-11-31-10-9-26-17-31/h4-6,9-10,13,15,17H,7-8,11-12,16H2,1-3H3,(H,27,32)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00300	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19743 (2-Cyano-pyrimidine, 17h | 2-cyano-4-[(2,2-dimethyl...) Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1ccc(OCCn2ccnc2)cc1)C#N Show InChI InChI=1S/C24H29N7O2/c1-24(2,3)16-29-22-20(15-28-21(14-25)30-22)23(32)27-9-8-18-4-6-19(7-5-18)33-13-12-31-11-10-26-17-31/h4-7,10-11,15,17H,8-9,12-13,16H2,1-3H3,(H,27,32)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00300	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19733 (2-Cyano-pyrimidine, 16c | 2-cyano-4-(cyclohexylami...) Show SMILES COc1cccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)c1 Show InChI InChI=1S/C21H25N5O2/c1-28-17-9-5-6-15(12-17)10-11-23-21(27)18-14-24-19(13-22)26-20(18)25-16-7-3-2-4-8-16/h5-6,9,12,14,16H,2-4,7-8,10-11H2,1H3,(H,23,27)(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00900	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19731 (2-Cyano-pyrimidine, 16a | 2-cyano-4-(cyclohexylami...) Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NC1CCCCC1)C#N Show InChI InChI=1S/C20H23N5O/c21-13-18-23-14-17(19(25-18)24-16-9-5-2-6-10-16)20(26)22-12-11-15-7-3-1-4-8-15/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H,22,26)(H,23,24,25)	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	0.0100	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19741 (2-Cyano-pyrimidine, 17f | 2-cyano-4-[(2,2-dimethyl...) Show SMILES CN1CCN(Cc2ccc(CCNC(=O)c3cnc(nc3NCC(C)(C)C)C#N)cc2)CC1 Show InChI InChI=1S/C25H35N7O/c1-25(2,3)18-29-23-21(16-28-22(15-26)30-23)24(33)27-10-9-19-5-7-20(8-6-19)17-32-13-11-31(4)12-14-32/h5-8,16H,9-14,17-18H2,1-4H3,(H,27,33)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0110	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19740 (2-Cyano-pyrimidine, 17e | 2-cyano-4-[(2,2-dimethyl...) Show SMILES CN1CCN(CC1)c1cccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)c1 Show InChI InChI=1S/C24H33N7O/c1-24(2,3)17-28-22-20(16-27-21(15-25)29-22)23(32)26-9-8-18-6-5-7-19(14-18)31-12-10-30(4)11-13-31/h5-7,14,16H,8-13,17H2,1-4H3,(H,26,32)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0110	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19742 (2-Cyano-pyrimidine, 17g | 2-cyano-4-[(2,2-dimethyl...) Show SMILES CN1CCC(CC1)Oc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1 Show InChI InChI=1S/C25H34N6O2/c1-25(2,3)17-29-23-21(16-28-22(15-26)30-23)24(32)27-12-9-18-5-7-19(8-6-18)33-20-10-13-31(4)14-11-20/h5-8,16,20H,9-14,17H2,1-4H3,(H,27,32)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0130	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19732 (2-Cyano-pyrimidine, 16b | 2-cyano-4-(cyclohexylami...) Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C21H25N5O2/c1-28-17-9-7-15(8-10-17)11-12-23-21(27)18-14-24-19(13-22)26-20(18)25-16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-12H2,1H3,(H,23,27)(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0220	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19739 (2-Cyano-pyrimidine, 17d | 2-cyano-4-[(2,2-dimethyl...) Show SMILES CN1CCN(CC1)c1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1 Show InChI InChI=1S/C24H33N7O/c1-24(2,3)17-28-22-20(16-27-21(15-25)29-22)23(32)26-10-9-18-5-7-19(8-6-18)31-13-11-30(4)12-14-31/h5-8,16H,9-14,17H2,1-4H3,(H,26,32)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0250	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19745 (2-Cyano-pyrimidine, 17j | 2-cyano-4-[(2,2-dimethyl...) Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1OCCn1ccnc1 Show InChI InChI=1S/C25H31N7O3/c1-25(2,3)16-30-23-19(15-29-22(14-26)31-23)24(33)28-8-7-18-5-6-20(34-4)21(13-18)35-12-11-32-10-9-27-17-32/h5-6,9-10,13,15,17H,7-8,11-12,16H2,1-4H3,(H,28,33)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0310	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19735 (2-Cyano-pyrimidine, 16e | 2-cyano-4-(cyclohexylami...) Show SMILES CN1CCN(CC1)c1ccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C25H33N7O/c1-31-13-15-32(16-14-31)21-9-7-19(8-10-21)11-12-27-25(33)22-18-28-23(17-26)30-24(22)29-20-5-3-2-4-6-20/h7-10,18,20H,2-6,11-16H2,1H3,(H,27,33)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0470	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19731 (2-Cyano-pyrimidine, 16a | 2-cyano-4-(cyclohexylami...) Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NC1CCCCC1)C#N Show InChI InChI=1S/C20H23N5O/c21-13-18-23-14-17(19(25-18)24-16-9-5-2-6-10-16)20(26)22-12-11-15-7-3-1-4-8-15/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H,22,26)(H,23,24,25)	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	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19732 (2-Cyano-pyrimidine, 16b | 2-cyano-4-(cyclohexylami...) Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C21H25N5O2/c1-28-17-9-7-15(8-10-17)11-12-23-21(27)18-14-24-19(13-22)26-20(18)25-16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-12H2,1H3,(H,23,27)(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	5.5	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19733 (2-Cyano-pyrimidine, 16c | 2-cyano-4-(cyclohexylami...) Show SMILES COc1cccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)c1 Show InChI InChI=1S/C21H25N5O2/c1-28-17-9-5-6-15(12-17)10-11-23-21(27)18-14-24-19(13-22)26-20(18)25-16-7-3-2-4-8-16/h5-6,9,12,14,16H,2-4,7-8,10-11H2,1H3,(H,23,27)(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19738 (2-Cyano-pyrimidine, 17c | 2-cyano-4-[(2,2-dimethyl...) Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1ccc(cc1)N1CCCC1)C#N Show InChI InChI=1S/C23H30N6O/c1-23(2,3)16-27-21-19(15-26-20(14-24)28-21)22(30)25-11-10-17-6-8-18(9-7-17)29-12-4-5-13-29/h6-9,15H,4-5,10-13,16H2,1-3H3,(H,25,30)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19733 (2-Cyano-pyrimidine, 16c | 2-cyano-4-(cyclohexylami...) Show SMILES COc1cccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)c1 Show InChI InChI=1S/C21H25N5O2/c1-28-17-9-5-6-15(12-17)10-11-23-21(27)18-14-24-19(13-22)26-20(18)25-16-7-3-2-4-8-16/h5-6,9,12,14,16H,2-4,7-8,10-11H2,1H3,(H,23,27)(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	5.5	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19741 (2-Cyano-pyrimidine, 17f | 2-cyano-4-[(2,2-dimethyl...) Show SMILES CN1CCN(Cc2ccc(CCNC(=O)c3cnc(nc3NCC(C)(C)C)C#N)cc2)CC1 Show InChI InChI=1S/C25H35N7O/c1-25(2,3)18-29-23-21(16-28-22(15-26)30-23)24(33)27-10-9-19-5-7-20(8-6-19)17-32-13-11-31(4)12-14-32/h5-8,16H,9-14,17-18H2,1-4H3,(H,27,33)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	5.5	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19736 (2-Cyano-pyrimidine, 17a | 2-cyano-4-[(2,2-dimethyl...) Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1 Show InChI InChI=1S/C20H25N5O2/c1-20(2,3)13-24-18-16(12-23-17(11-21)25-18)19(26)22-10-9-14-5-7-15(27-4)8-6-14/h5-8,12H,9-10,13H2,1-4H3,(H,22,26)(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	5.5	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308093 (1-[3-(2-Hydroxy-ethoxy)-benzyl]-4-(4-isopropyl-phe...) Show SMILES CC(C)c1ccc(cc1)-c1nc(=S)n(Cc2cccc(OCCO)c2)c2ccc(OCC#C)cc12 Show InChI InChI=1S/C29H28N2O3S/c1-4-15-33-25-12-13-27-26(18-25)28(23-10-8-22(9-11-23)20(2)3)30-29(35)31(27)19-21-6-5-7-24(17-21)34-16-14-32/h1,5-13,17-18,20,32H,14-16,19H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50542738 (CHEMBL4637027) Show SMILES CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@H](O)Cn1ccc2cccc(C(O)=O)c12 |r| Show InChI InChI=1S/C28H28N2O4/c1-16(2)19-10-20(18-6-7-26-23(13-18)24(29)15-34-26)12-21(11-19)25(31)14-30-9-8-17-4-3-5-22(27(17)30)28(32)33/h3-13,16,24-25,31H,14-15,29H2,1-2H3,(H,32,33)/t24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human F11a using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured after 60 m...				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair				3D Structure (crystal)
Procathepsin L (Homo sapiens (Human))	BDBM19735 (2-Cyano-pyrimidine, 16e | 2-cyano-4-(cyclohexylami...) Show SMILES CN1CCN(CC1)c1ccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C25H33N7O/c1-31-13-15-32(16-14-31)21-9-7-19(8-10-21)11-12-27-25(33)22-18-28-23(17-26)30-24(22)29-20-5-3-2-4-6-20/h7-10,18,20H,2-6,11-16H2,1H3,(H,27,33)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	5.5	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19735 (2-Cyano-pyrimidine, 16e | 2-cyano-4-(cyclohexylami...) Show SMILES CN1CCN(CC1)c1ccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C25H33N7O/c1-31-13-15-32(16-14-31)21-9-7-19(8-10-21)11-12-27-25(33)22-18-28-23(17-26)30-24(22)29-20-5-3-2-4-6-20/h7-10,18,20H,2-6,11-16H2,1H3,(H,27,33)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19744 (2-Cyano-pyrimidine, 17i | 2-cyano-4-[(2,2-dimethyl...) Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1cccc(OCCn2ccnc2)c1)C#N Show InChI InChI=1S/C24H29N7O2/c1-24(2,3)16-29-22-20(15-28-21(14-25)30-22)23(32)27-8-7-18-5-4-6-19(13-18)33-12-11-31-10-9-26-17-31/h4-6,9-10,13,15,17H,7-8,11-12,16H2,1-3H3,(H,27,32)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19743 (2-Cyano-pyrimidine, 17h | 2-cyano-4-[(2,2-dimethyl...) Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1ccc(OCCn2ccnc2)cc1)C#N Show InChI InChI=1S/C24H29N7O2/c1-24(2,3)16-29-22-20(15-28-21(14-25)30-22)23(32)27-9-8-18-4-6-19(7-5-18)33-13-12-31-11-10-26-17-31/h4-7,10-11,15,17H,8-9,12-13,16H2,1-3H3,(H,27,32)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	5.5	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19745 (2-Cyano-pyrimidine, 17j | 2-cyano-4-[(2,2-dimethyl...) Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1OCCn1ccnc1 Show InChI InChI=1S/C25H31N7O3/c1-25(2,3)16-30-23-19(15-29-22(14-26)31-23)24(33)28-8-7-18-5-6-20(34-4)21(13-18)35-12-11-32-10-9-27-17-32/h5-6,9-10,13,15,17H,7-8,11-12,16H2,1-4H3,(H,28,33)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	5.5	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19744 (2-Cyano-pyrimidine, 17i | 2-cyano-4-[(2,2-dimethyl...) Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1cccc(OCCn2ccnc2)c1)C#N Show InChI InChI=1S/C24H29N7O2/c1-24(2,3)16-29-22-20(15-28-21(14-25)30-22)23(32)27-8-7-18-5-4-6-19(13-18)33-12-11-31-10-9-26-17-31/h4-6,9-10,13,15,17H,7-8,11-12,16H2,1-3H3,(H,27,32)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	5.5	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19732 (2-Cyano-pyrimidine, 16b | 2-cyano-4-(cyclohexylami...) Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C21H25N5O2/c1-28-17-9-7-15(8-10-17)11-12-23-21(27)18-14-24-19(13-22)26-20(18)25-16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-12H2,1H3,(H,23,27)(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50542731 (CHEMBL4642845) Show SMILES CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@@H]1CNc2cccc(CC(O)=O)c2O1 |r| Show InChI InChI=1S/C27H28N2O4/c1-15(2)18-8-19(16-6-7-24-21(11-16)22(28)14-32-24)10-20(9-18)25-13-29-23-5-3-4-17(12-26(30)31)27(23)33-25/h3-11,15,22,25,29H,12-14,28H2,1-2H3,(H,30,31)/t22-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human F11a using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured after 60 m...				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50542741 (CHEMBL4647950) Show SMILES CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(O)Cn1ccc2cccc(C(O)=O)c12 |r| Show InChI InChI=1S/C28H28N2O4/c1-16(2)19-10-20(18-6-7-26-23(13-18)24(29)15-34-26)12-21(11-19)25(31)14-30-9-8-17-4-3-5-22(27(17)30)28(32)33/h3-13,16,24-25,31H,14-15,29H2,1-2H3,(H,32,33)/t24-,25?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human F11a using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured after 60 m...				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19734 (2-Cyano-pyrimidine, 16d | 2-cyano-4-(cyclohexylami...) Show SMILES O=C(NCCc1ccc(cc1)N1CCCC1)c1cnc(nc1NC1CCCCC1)C#N Show InChI InChI=1S/C24H30N6O/c25-16-22-27-17-21(23(29-22)28-19-6-2-1-3-7-19)24(31)26-13-12-18-8-10-20(11-9-18)30-14-4-5-15-30/h8-11,17,19H,1-7,12-15H2,(H,26,31)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19740 (2-Cyano-pyrimidine, 17e | 2-cyano-4-[(2,2-dimethyl...) Show SMILES CN1CCN(CC1)c1cccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)c1 Show InChI InChI=1S/C24H33N7O/c1-24(2,3)17-28-22-20(16-27-21(15-25)29-22)23(32)26-9-8-18-6-5-7-19(14-18)31-12-10-30(4)11-13-31/h5-7,14,16H,8-13,17H2,1-4H3,(H,26,32)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	5.5	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19743 (2-Cyano-pyrimidine, 17h | 2-cyano-4-[(2,2-dimethyl...) Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1ccc(OCCn2ccnc2)cc1)C#N Show InChI InChI=1S/C24H29N7O2/c1-24(2,3)16-29-22-20(15-28-21(14-25)30-22)23(32)27-9-8-18-4-6-19(7-5-18)33-13-12-31-11-10-26-17-31/h4-7,10-11,15,17H,8-9,12-13,16H2,1-3H3,(H,27,32)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19737 (2-Cyano-pyrimidine, 17b | 2-cyano-4-[(2,2-dimethyl...) Show SMILES COc1cccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)c1 Show InChI InChI=1S/C20H25N5O2/c1-20(2,3)13-24-18-16(12-23-17(11-21)25-18)19(26)22-9-8-14-6-5-7-15(10-14)27-4/h5-7,10,12H,8-9,13H2,1-4H3,(H,22,26)(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19762 ((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-[2-(4-c...) Show SMILES CC(C)C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r| Show InChI InChI=1S/C26H32ClN3O4/c1-18(2)14-23(30-25(32)26(3,4)34-22-12-10-20(27)11-13-22)24(31)29-21(15-28)17-33-16-19-8-6-5-7-9-19/h5-13,18,21,23H,14,16-17H2,1-4H3,(H,29,31)(H,30,32)/t21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				Bioorg Med Chem Lett 16: 2549-54 (2006) Article DOI: 10.1016/j.bmcl.2006.01.104 BindingDB Entry DOI: 10.7270/Q2XG9PFB
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097971 (CHEMBL262276 | methyl 2-(4-(4-amino-5-(3-hydroxyph...) Show SMILES COC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C20H23N5O3/c1-28-17(27)11-24-7-5-14(6-8-24)25-10-16(13-3-2-4-15(26)9-13)18-19(21)22-12-23-20(18)25/h2-4,9-10,12,14,26H,5-8,11H2,1H3,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50542738 (CHEMBL4637027) Show SMILES CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@H](O)Cn1ccc2cccc(C(O)=O)c12 |r| Show InChI InChI=1S/C28H28N2O4/c1-16(2)19-10-20(18-6-7-26-23(13-18)24(29)15-34-26)12-21(11-19)25(31)14-30-9-8-17-4-3-5-22(27(17)30)28(32)33/h3-13,16,24-25,31H,14-15,29H2,1-2H3,(H,32,33)/t24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKL (unknown origin) using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured ...				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50542731 (CHEMBL4642845) Show SMILES CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@@H]1CNc2cccc(CC(O)=O)c2O1 |r| Show InChI InChI=1S/C27H28N2O4/c1-15(2)18-8-19(16-6-7-24-21(11-16)22(28)14-32-24)10-20(9-18)25-13-29-23-5-3-4-17(12-26(30)31)27(23)33-25/h3-11,15,22,25,29H,12-14,28H2,1-2H3,(H,30,31)/t22-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKL (unknown origin) using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured ...				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097967 (3-(4-amino-7-(1-(2-hydroxyethyl)piperidin-4-yl)-7H...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCN(CCO)CC1 Show InChI InChI=1S/C19H23N5O2/c20-18-17-16(13-2-1-3-15(26)10-13)11-24(19(17)22-12-21-18)14-4-6-23(7-5-14)8-9-25/h1-3,10-12,14,25-26H,4-9H2,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097979 (2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d...) Show SMILES NC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H22N6O2/c20-16(27)10-24-6-4-13(5-7-24)25-9-15(12-2-1-3-14(26)8-12)17-18(21)22-11-23-19(17)25/h1-3,8-9,11,13,26H,4-7,10H2,(H2,20,27)(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19764 ((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-(1H-ind...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](COCc1ccccc1)C#N |r| Show InChI InChI=1S/C25H28N4O3/c1-17(2)12-22(29-25(31)23-13-19-10-6-7-11-21(19)28-23)24(30)27-20(14-26)16-32-15-18-8-4-3-5-9-18/h3-11,13,17,20,22,28H,12,15-16H2,1-2H3,(H,27,30)(H,29,31)/t20-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				Bioorg Med Chem Lett 16: 2549-54 (2006) Article DOI: 10.1016/j.bmcl.2006.01.104 BindingDB Entry DOI: 10.7270/Q2XG9PFB
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19765 ((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)N[C@@H](COCc1ccccc1)C#N |r| Show InChI InChI=1S/C26H30N4O3/c1-18(2)13-22(29-26(32)24-14-20-11-7-8-12-23(20)30(24)3)25(31)28-21(15-27)17-33-16-19-9-5-4-6-10-19/h4-12,14,18,21-22H,13,16-17H2,1-3H3,(H,28,31)(H,29,32)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				Bioorg Med Chem Lett 16: 2549-54 (2006) Article DOI: 10.1016/j.bmcl.2006.01.104 BindingDB Entry DOI: 10.7270/Q2XG9PFB
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM50400274 (CHEMBL2180765 | US9085555, 373) Show SMILES NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCC#N)ccc12 |r| Show InChI InChI=1S/C25H22ClFN6O4/c26-17-3-1-2-13(22(17)27)11-30-23(34)21-9-14-8-20(14)33(21)25(36)31-18-12-32(24(29)35)19-5-4-15(10-16(18)19)37-7-6-28/h1-5,10,12,14,20-21H,7-9,11H2,(H2,29,35)(H,30,34)(H,31,36)/t14-,20-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...				US Patent US9085555 (2015) BindingDB Entry DOI: 10.7270/Q2RN36MP
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM50097956 (3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1 Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase activity				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19731 (2-Cyano-pyrimidine, 16a | 2-cyano-4-(cyclohexylami...) Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NC1CCCCC1)C#N Show InChI InChI=1S/C20H23N5O/c21-13-18-23-14-17(19(25-18)24-16-9-5-2-6-10-16)20(26)22-12-11-15-7-3-1-4-8-15/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H,22,26)(H,23,24,25)	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	1.10	n/a	n/a	n/a	n/a	5.5	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19737 (2-Cyano-pyrimidine, 17b | 2-cyano-4-[(2,2-dimethyl...) Show SMILES COc1cccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)c1 Show InChI InChI=1S/C20H25N5O2/c1-20(2,3)13-24-18-16(12-23-17(11-21)25-18)19(26)22-9-8-14-6-5-7-15(10-14)27-4/h5-7,10,12H,8-9,13H2,1-4H3,(H,22,26)(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	5.5	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308090 (1-(3-Ethoxy-4-methoxy-benzyl)-4-(4-isopropyl-pheny...) Show SMILES CCOc1cc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)ccc1OC Show InChI InChI=1S/C30H30N2O4/c1-6-16-36-24-13-14-26-25(18-24)29(23-11-9-22(10-12-23)20(3)4)31-30(33)32(26)19-21-8-15-27(34-5)28(17-21)35-7-2/h1,8-15,17-18,20H,7,16,19H2,2-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair

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