Compile Data Set for Download or QSAR

Found 447 hits with Last Name = 'irie' and Initial = 'o'   

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))	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
Renin (Homo sapiens (Human))	BDBM98678 (US8497286, 154) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1ccc(cn1)C(C)C |r| Show InChI InChI=1S/C26H42N4O4/c1-6-34-15-19(11-16(2)3)29-25(32)21-13-27-14-22(24(21)31)26(33)30(20-8-9-20)23-10-7-18(12-28-23)17(4)5/h7,10,12,16-17,19-22,24,27,31H,6,8-9,11,13-15H2,1-5H3,(H,29,32)/t19-,21-,22+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.200	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 recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM98679 (US8497286, 155) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C |r| Show InChI InChI=1S/C27H44N4O4/c1-7-35-16-21(10-17(2)3)30-26(32)19-11-20(14-28-13-19)27(33)31(22-8-9-22)25-12-24(34-6)23(15-29-25)18(4)5/h12,15,17-22,28H,7-11,13-14,16H2,1-6H3,(H,30,32)/t19-,20+,21+/m0/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	0.200	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 recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98684 (US8497286, 160) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1 |r| Show InChI InChI=1S/C27H44N4O4/c1-6-19-16-29-25(13-24(19)35-8-3)31(23-9-10-23)27(33)21-12-20(14-28-15-21)26(32)30-22(11-18(4)5)17-34-7-2/h13,16,18,20-23,28H,6-12,14-15,17H2,1-5H3,(H,30,32)/t20-,21+,22+/m0/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	0.200	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 recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					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
Renin (Homo sapiens (Human))	BDBM50054540 (CHEMBL3318939) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCCCOC)c(cc1F)C(C)C |r| Show InChI InChI=1S/C31H50FN3O5/c1-7-39-19-24(13-20(2)3)34-30(36)22-14-23(18-33-17-22)31(37)35(25-9-10-25)28-16-29(40-12-8-11-38-6)26(21(4)5)15-27(28)32/h15-16,20-25,33H,7-14,17-19H2,1-6H3,(H,34,36)/t22-,23+,24+/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	0.300	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 recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98686 (US8497286, 162) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1 |r| Show InChI InChI=1S/C27H44N4O5/c1-6-18-13-29-24(12-23(18)36-8-3)31(20-9-10-20)27(34)22-15-28-14-21(25(22)32)26(33)30-19(11-17(4)5)16-35-7-2/h12-13,17,19-22,25,28,32H,6-11,14-16H2,1-5H3,(H,30,33)/t19-,21-,22+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Inhibition activity of renin using FRET assay.				US Patent US8497286 (2013) BindingDB Entry DOI: 10.7270/Q27P8X1B
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98680 (US8497286, 156) Show SMILES CCOC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C)C1CCCCC1 |r| Show InChI InChI=1S/C29H46N4O4/c1-5-37-18-25(20-9-7-6-8-10-20)32-28(34)21-13-22(16-30-15-21)29(35)33(23-11-12-23)27-14-26(36-4)24(17-31-27)19(2)3/h14,17,19-23,25,30H,5-13,15-16,18H2,1-4H3,(H,32,34)/t21-,22+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Inhibition activity of renin using FRET assay.				US Patent US8497286 (2013) BindingDB Entry DOI: 10.7270/Q27P8X1B
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054632 (CHEMBL3318940) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc2N(CCCOC)C(=O)C(C)(C)Oc2cc1F |r| Show InChI InChI=1S/C32H49FN4O6.ClH/c1-7-42-19-23(13-20(2)3)35-29(38)21-14-22(18-34-17-21)30(39)37(24-9-10-24)26-16-27-28(15-25(26)33)43-32(4,5)31(40)36(27)11-8-12-41-6;/h15-16,20-24,34H,7-14,17-19H2,1-6H3,(H,35,38);1H/t21-,22+,23+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	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 recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					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
Renin (Homo sapiens (Human))	BDBM98679 (US8497286, 155) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C |r| Show InChI InChI=1S/C27H44N4O4/c1-7-35-16-21(10-17(2)3)30-26(32)19-11-20(14-28-13-19)27(33)31(22-8-9-22)25-12-24(34-6)23(15-29-25)18(4)5/h12,15,17-22,28H,7-11,13-14,16H2,1-6H3,(H,30,32)/t19-,20+,21+/m0/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	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 recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054636 (CHEMBL3318937) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNC[C@H](C2)C(=O)N[C@H](CCO)c2ccccc2)c2ccccc12 |r| Show InChI InChI=1S/C32H42N4O4/c1-40-17-7-15-35-21-26(28-10-5-6-11-30(28)35)22-36(27-12-13-27)32(39)25-18-24(19-33-20-25)31(38)34-29(14-16-37)23-8-3-2-4-9-23/h2-6,8-11,21,24-25,27,29,33,37H,7,12-20,22H2,1H3,(H,34,38)/t24-,25+,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98676 (US8497286, 152) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OCCCOC)c(cn1)C(C)C |r| Show InChI InChI=1S/C30H50N4O6/c1-7-39-18-21(13-19(2)3)33-29(36)24-15-31-16-25(28(24)35)30(37)34(22-9-10-22)27-14-26(40-12-8-11-38-6)23(17-32-27)20(4)5/h14,17,19-22,24-25,28,31,35H,7-13,15-16,18H2,1-6H3,(H,33,36)/t21-,24-,25+,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Inhibition activity of renin using FRET assay.				US Patent US8497286 (2013) BindingDB Entry DOI: 10.7270/Q27P8X1B
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054633 (CHEMBL3318941) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCCCOC)c(cn1)C(C)C |r| Show InChI InChI=1S/C30H50N4O5.ClH/c1-7-38-19-24(13-20(2)3)33-29(35)22-14-23(17-31-16-22)30(36)34(25-9-10-25)28-15-27(39-12-8-11-37-6)26(18-32-28)21(4)5;/h15,18,20-25,31H,7-14,16-17,19H2,1-6H3,(H,33,35);1H/t22-,23+,24+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054637 (CHEMBL3318938) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNC[C@H](C2)C(=O)Nc2c(C)cccc2OC)c2ccccc12 |r| Show InChI InChI=1S/C31H40N4O4/c1-21-8-6-11-28(39-3)29(21)33-30(36)22-16-23(18-32-17-22)31(37)35(25-12-13-25)20-24-19-34(14-7-15-38-2)27-10-5-4-9-26(24)27/h4-6,8-11,19,22-23,25,32H,7,12-18,20H2,1-3H3,(H,33,36)/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
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
Renin (Homo sapiens (Human))	BDBM98675 (US8497286, 151) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(CC(C)C)c1cc(OCCCOC)c(cn1)C(C)C |r| Show InChI InChI=1S/C31H54N4O5/c1-9-39-20-26(13-21(2)3)34-30(36)24-14-25(17-32-16-24)31(37)35(19-22(4)5)29-15-28(40-12-10-11-38-8)27(18-33-29)23(6)7/h15,18,21-26,32H,9-14,16-17,19-20H2,1-8H3,(H,34,36)/t24-,25+,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Inhibition activity of renin using FRET assay.				US Patent US8497286 (2013) BindingDB Entry DOI: 10.7270/Q27P8X1B
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98684 (US8497286, 160) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1 |r| Show InChI InChI=1S/C27H44N4O4/c1-6-19-16-29-25(13-24(19)35-8-3)31(23-9-10-23)27(33)21-12-20(14-28-15-21)26(32)30-22(11-18(4)5)17-34-7-2/h13,16,18,20-23,28H,6-12,14-15,17H2,1-5H3,(H,30,32)/t20-,21+,22+/m0/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	0.600	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 recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98686 (US8497286, 162) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1 |r| Show InChI InChI=1S/C27H44N4O5/c1-6-18-13-29-24(12-23(18)36-8-3)31(20-9-10-20)27(34)22-15-28-14-21(25(22)32)26(33)30-19(11-17(4)5)16-35-7-2/h12-13,17,19-22,25,28,32H,6-11,14-16H2,1-5H3,(H,30,33)/t19-,21-,22+,25-/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	0.600	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 recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98678 (US8497286, 154) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1ccc(cn1)C(C)C |r| Show InChI InChI=1S/C26H42N4O4/c1-6-34-15-19(11-16(2)3)29-25(32)21-13-27-14-22(24(21)31)26(33)30(20-8-9-20)23-10-7-18(12-28-23)17(4)5/h7,10,12,16-17,19-22,24,27,31H,6,8-9,11,13-15H2,1-5H3,(H,29,32)/t19-,21-,22+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.600	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 recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM98690 (US8497286, 166) Show SMILES CCOC[C@H](NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1)C(C)C |r| Show InChI InChI=1S/C26H42N4O5/c1-6-17-12-28-23(11-22(17)35-8-3)30(18-9-10-18)26(33)20-14-27-13-19(24(20)31)25(32)29-21(16(4)5)15-34-7-2/h11-12,16,18-21,24,27,31H,6-10,13-15H2,1-5H3,(H,29,32)/t19-,20+,21+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Inhibition activity of renin using FRET assay.				US Patent US8497286 (2013) BindingDB Entry DOI: 10.7270/Q27P8X1B
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98684 (US8497286, 160) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1 |r| Show InChI InChI=1S/C27H44N4O4/c1-6-19-16-29-25(13-24(19)35-8-3)31(23-9-10-23)27(33)21-12-20(14-28-15-21)26(32)30-22(11-18(4)5)17-34-7-2/h13,16,18,20-23,28H,6-12,14-15,17H2,1-5H3,(H,30,32)/t20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Inhibition activity of renin using FRET assay.				US Patent US8497286 (2013) BindingDB Entry DOI: 10.7270/Q27P8X1B
					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
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
Renin (Homo sapiens (Human))	BDBM98685 (US8497286, 161) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C |r| Show InChI InChI=1S/C27H44N4O5/c1-7-36-15-18(10-16(2)3)30-26(33)21-12-28-13-22(25(21)32)27(34)31(19-8-9-19)24-11-23(35-6)20(14-29-24)17(4)5/h11,14,16-19,21-22,25,28,32H,7-10,12-13,15H2,1-6H3,(H,30,33)/t18-,21-,22+,25-/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	0.800	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 recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98685 (US8497286, 161) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C |r| Show InChI InChI=1S/C27H44N4O5/c1-7-36-15-18(10-16(2)3)30-26(33)21-12-28-13-22(25(21)32)27(34)31(19-8-9-19)24-11-23(35-6)20(14-29-24)17(4)5/h11,14,16-19,21-22,25,28,32H,7-10,12-13,15H2,1-6H3,(H,30,33)/t18-,21-,22+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Inhibition activity of renin using FRET assay.				US Patent US8497286 (2013) BindingDB Entry DOI: 10.7270/Q27P8X1B
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054634 (CHEMBL3318942) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1ccc(C(C)C)c(OCCCOC)n1 |r| Show InChI InChI=1S/C30H50N4O5.ClH/c1-7-38-19-24(15-20(2)3)32-28(35)22-16-23(18-31-17-22)30(36)34(25-9-10-25)27-12-11-26(21(4)5)29(33-27)39-14-8-13-37-6;/h11-12,20-25,31H,7-10,13-19H2,1-6H3,(H,32,35);1H/t22-,23+,24+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	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 recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98682 (US8497286, 158) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(CC(C)C)c1cc(OC)c(cn1)C(C)C |r| Show InChI InChI=1S/C28H48N4O4/c1-9-36-17-23(10-18(2)3)31-27(33)21-11-22(14-29-13-21)28(34)32(16-19(4)5)26-12-25(35-8)24(15-30-26)20(6)7/h12,15,18-23,29H,9-11,13-14,16-17H2,1-8H3,(H,31,33)/t21-,22+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Inhibition activity of renin using FRET assay.				US Patent US8497286 (2013) BindingDB Entry DOI: 10.7270/Q27P8X1B
					More data for this Ligand-Target Pair

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