Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 2231   

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
Renin (Homo sapiens (Human))	BDBM18313 ((2R,4S,5S,7S)-5-amino-N-(2-acetamidoethyl)-4-hydro...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCNC(C)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C27H47N3O6/c1-18(2)22(15-21-8-9-25(35-6)26(16-21)36-13-7-12-34-5)17-23(28)24(32)14-19(3)27(33)30-11-10-29-20(4)31/h8-9,16,18-19,22-24,32H,7,10-15,17,28H2,1-6H3,(H,29,31)(H,30,33)/t19-,22+,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18288 ((2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES COCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C27H48N2O6/c1-19(2)22(16-21-9-10-25(34-6)26(17-21)35-14-8-13-33-5)18-23(28)24(30)15-20(3)27(31)29-11-7-12-32-4/h9-10,17,19-20,22-24,30H,7-8,11-16,18,28H2,1-6H3,(H,29,31)/t20-,22+,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18278 ((2R,4S,5S,7S)-5-amino-7-{[3-(benzyloxy)-4-methoxyp...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCc2ccccc2)c1)C(C)C |r| Show InChI InChI=1S/C30H46N2O4/c1-6-7-15-32-30(34)22(4)16-27(33)26(31)19-25(21(2)3)17-24-13-14-28(35-5)29(18-24)36-20-23-11-9-8-10-12-23/h8-14,18,21-22,25-27,33H,6-7,15-17,19-20,31H2,1-5H3,(H,32,34)/t22-,25+,26+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18289 ((2R,4S,5S,7S)-5-amino-4-hydroxy-N-(4-hydroxybutyl)...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCCO)C(C)C)ccc1OC |r| Show InChI InChI=1S/C27H48N2O6/c1-19(2)22(16-21-9-10-25(34-5)26(17-21)35-14-8-13-33-4)18-23(28)24(31)15-20(3)27(32)29-11-6-7-12-30/h9-10,17,19-20,22-24,30-31H,6-8,11-16,18,28H2,1-5H3,(H,29,32)/t20-,22+,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18304 (8-phenyl-octanecarboxamide peptidomimetic, 61 | me...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)OC)C(C)C)ccc1OC |r| Show InChI InChI=1S/C28H48N2O7/c1-19(2)22(16-21-10-11-25(35-5)26(17-21)37-14-8-13-34-4)18-23(29)24(31)15-20(3)28(33)30-12-7-9-27(32)36-6/h10-11,17,19-20,22-24,31H,7-9,12-16,18,29H2,1-6H3,(H,30,33)/t20-,22+,23+,24+/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	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM17949 ((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-meth...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C27H48N2O5/c1-7-8-12-29-27(31)20(4)15-24(30)23(28)18-22(19(2)3)16-21-10-11-25(33-6)26(17-21)34-14-9-13-32-5/h10-11,17,19-20,22-24,30H,7-9,12-16,18,28H2,1-6H3,(H,29,31)/t20-,22+,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM18306 ((2R,4S,5S,7S)-5-amino-N-(3-cyanopropyl)-4-hydroxy-...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC#N)C(C)C)ccc1OC |r| Show InChI InChI=1S/C27H45N3O5/c1-19(2)22(16-21-9-10-25(34-5)26(17-21)35-14-8-13-33-4)18-23(29)24(31)15-20(3)27(32)30-12-7-6-11-28/h9-10,17,19-20,22-24,31H,6-8,12-16,18,29H2,1-5H3,(H,30,32)/t20-,22+,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18308 ((2R,4S,5S,7S)-5-amino-N-(3-carbamoylpropyl)-4-hydr...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C27H47N3O6/c1-18(2)21(15-20-9-10-24(35-5)25(16-20)36-13-7-12-34-4)17-22(28)23(31)14-19(3)27(33)30-11-6-8-26(29)32/h9-10,16,18-19,21-23,31H,6-8,11-15,17,28H2,1-5H3,(H2,29,32)(H,30,33)/t19-,21+,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18295 ((2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCC(C)(C)N2CCOCC2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C31H55N3O6/c1-22(2)25(18-24-9-10-28(38-7)29(19-24)40-14-8-13-37-6)20-26(32)27(35)17-23(3)30(36)33-21-31(4,5)34-11-15-39-16-12-34/h9-10,19,22-23,25-27,35H,8,11-18,20-21,32H2,1-7H3,(H,33,36)/t23-,25+,26+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18294 ((2R,4S,5S,7S)-5-amino-N-{2-[(2R,6S)-2,6-dimethylmo...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2C[C@H](C)O[C@H](C)C2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C31H55N3O6/c1-21(2)26(16-25-9-10-29(38-7)30(17-25)39-14-8-13-37-6)18-27(32)28(35)15-22(3)31(36)33-11-12-34-19-23(4)40-24(5)20-34/h9-10,17,21-24,26-28,35H,8,11-16,18-20,32H2,1-7H3,(H,33,36)/t22-,23-,24+,26+,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18293 ((2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCOCC2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C29H51N3O6/c1-21(2)24(18-23-7-8-27(36-5)28(19-23)38-14-6-13-35-4)20-25(30)26(33)17-22(3)29(34)31-9-10-32-11-15-37-16-12-32/h7-8,19,21-22,24-26,33H,6,9-18,20,30H2,1-5H3,(H,31,34)/t22-,24+,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18316 ((2R,4S,5S,7S)-5-amino-N-[2-(dimethylsulfamoyl)ethy...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCS(=O)(=O)N(C)C)C(C)C)ccc1OC |r| Show InChI InChI=1S/C27H49N3O7S/c1-19(2)22(16-21-9-10-25(36-7)26(17-21)37-13-8-12-35-6)18-23(28)24(31)15-20(3)27(32)29-11-14-38(33,34)30(4)5/h9-10,17,19-20,22-24,31H,8,11-16,18,28H2,1-7H3,(H,29,32)/t20-,22+,23+,24+/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18284 ((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-meth...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C28H50N2O5/c1-7-8-13-30-28(32)21(4)16-25(31)24(29)19-23(20(2)3)17-22-11-12-26(34-6)27(18-22)35-15-10-9-14-33-5/h11-12,18,20-21,23-25,31H,7-10,13-17,19,29H2,1-6H3,(H,30,32)/t21-,23+,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18297 ((2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCSCC2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C29H51N3O5S/c1-21(2)24(18-23-7-8-27(36-5)28(19-23)37-14-6-13-35-4)20-25(30)26(33)17-22(3)29(34)31-9-10-32-11-15-38-16-12-32/h7-8,19,21-22,24-26,33H,6,9-18,20,30H2,1-5H3,(H,31,34)/t22-,24+,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18298 ((2R,4S,5S,7S)-5-amino-N-[2-(1,1-dioxo-1,4-thiomorp...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCS(=O)(=O)CC2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C29H51N3O7S/c1-21(2)24(18-23-7-8-27(38-5)28(19-23)39-14-6-13-37-4)20-25(30)26(33)17-22(3)29(34)31-9-10-32-11-15-40(35,36)16-12-32/h7-8,19,21-22,24-26,33H,6,9-18,20,30H2,1-5H3,(H,31,34)/t22-,24+,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18310 ((2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)NCCOC)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O7/c1-21(2)24(18-23-10-11-27(39-6)28(19-23)40-15-8-14-37-4)20-25(31)26(34)17-22(3)30(36)33-12-7-9-29(35)32-13-16-38-5/h10-11,19,21-22,24-26,34H,7-9,12-18,20,31H2,1-6H3,(H,32,35)(H,33,36)/t22-,24+,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18311 ((2R,4S,5S,7S)-5-amino-N-(4-carbamoylbutyl)-4-hydro...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCCC(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C28H49N3O6/c1-19(2)22(16-21-10-11-25(36-5)26(17-21)37-14-8-13-35-4)18-23(29)24(32)15-20(3)28(34)31-12-7-6-9-27(30)33/h10-11,17,19-20,22-24,32H,6-9,12-16,18,29H2,1-5H3,(H2,30,33)(H,31,34)/t20-,22+,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18287 ((2R,4S,5S,7S)-5-amino-4-hydroxy-N-(3-hydroxypropyl...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCO)C(C)C)ccc1OC |r| Show InChI InChI=1S/C26H46N2O6/c1-18(2)21(17-22(27)23(30)14-19(3)26(31)28-10-6-11-29)15-20-8-9-24(33-5)25(16-20)34-13-7-12-32-4/h8-9,16,18-19,21-23,29-30H,6-7,10-15,17,27H2,1-5H3,(H,28,31)/t19-,21+,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18320 ((2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCc2nc(C)no2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C29H48N4O6/c1-19(2)23(16-22-10-11-26(37-6)27(17-22)38-14-8-13-36-5)18-24(30)25(34)15-20(3)29(35)31-12-7-9-28-32-21(4)33-39-28/h10-11,17,19-20,23-25,34H,7-9,12-16,18,30H2,1-6H3,(H,31,35)/t20-,23+,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18312 ((2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)N2CCOCC2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C31H53N3O7/c1-22(2)25(19-24-9-10-28(39-5)29(20-24)41-15-7-14-38-4)21-26(32)27(35)18-23(3)31(37)33-11-6-8-30(36)34-12-16-40-17-13-34/h9-10,20,22-23,25-27,35H,6-8,11-19,21,32H2,1-5H3,(H,33,37)/t23-,25+,26+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18282 ((2R,4S,5S,7S)-5-amino-N-butyl-7-{[3-(3-ethoxypropo...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOCC)c1)C(C)C |r| Show InChI InChI=1S/C28H50N2O5/c1-7-9-13-30-28(32)21(5)16-25(31)24(29)19-23(20(3)4)17-22-11-12-26(33-6)27(18-22)35-15-10-14-34-8-2/h11-12,18,20-21,23-25,31H,7-10,13-17,19,29H2,1-6H3,(H,30,32)/t21-,23+,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18319 ((2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCc2nnn[nH]2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C27H46N6O5/c1-18(2)21(15-20-9-10-24(37-5)25(16-20)38-13-7-12-36-4)17-22(28)23(34)14-19(3)27(35)29-11-6-8-26-30-32-33-31-26/h9-10,16,18-19,21-23,34H,6-8,11-15,17,28H2,1-5H3,(H,29,35)(H,30,31,32,33)/t19-,21+,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18309 ((2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES CNC(=O)CCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C28H49N3O6/c1-19(2)22(16-21-10-11-25(36-6)26(17-21)37-14-8-13-35-5)18-23(29)24(32)15-20(3)28(34)31-12-7-9-27(33)30-4/h10-11,17,19-20,22-24,32H,7-9,12-16,18,29H2,1-6H3,(H,30,33)(H,31,34)/t20-,22+,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18302 (4-[(2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(O)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C27H46N2O7/c1-18(2)21(15-20-9-10-24(35-5)25(16-20)36-13-7-12-34-4)17-22(28)23(30)14-19(3)27(33)29-11-6-8-26(31)32/h9-10,16,18-19,21-23,30H,6-8,11-15,17,28H2,1-5H3,(H,29,33)(H,31,32)/t19-,21+,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18318 ((2R,4S,5S,7S)-5-amino-4-hydroxy-N-[3-(1H-imidazol-...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCc2cnc[nH]2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C29H48N4O5/c1-20(2)23(15-22-9-10-27(37-5)28(16-22)38-13-7-12-36-4)17-25(30)26(34)14-21(3)29(35)32-11-6-8-24-18-31-19-33-24/h9-10,16,18-21,23,25-26,34H,6-8,11-15,17,30H2,1-5H3,(H,31,33)(H,32,35)/t21-,23+,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18286 ((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-meth...) Show SMILES CCCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC)C(C)C)ccc1OC |r| Show InChI InChI=1S/C28H50N2O4/c1-7-9-11-15-34-27-18-22(12-13-26(27)33-6)17-23(20(3)4)19-24(29)25(31)16-21(5)28(32)30-14-10-8-2/h12-13,18,20-21,23-25,31H,7-11,14-17,19,29H2,1-6H3,(H,30,32)/t21-,23+,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18270 (8-phenyl-octanecarboxamide peptidomimetic, 28 | me...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCC(=O)OC)c1)C(C)C |r| Show InChI InChI=1S/C26H44N2O6/c1-7-8-11-28-26(31)18(4)12-22(29)21(27)15-20(17(2)3)13-19-9-10-23(32-5)24(14-19)34-16-25(30)33-6/h9-10,14,17-18,20-22,29H,7-8,11-13,15-16,27H2,1-6H3,(H,28,31)/t18-,20+,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18314 ((2R,4S,5S,7S)-5-amino-N-[2-(ethanesulfonyl)ethyl]-...) Show SMILES CCS(=O)(=O)CCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C27H48N2O7S/c1-7-37(32,33)14-11-29-27(31)20(4)15-24(30)23(28)18-22(19(2)3)16-21-9-10-25(35-6)26(17-21)36-13-8-12-34-5/h9-10,17,19-20,22-24,30H,7-8,11-16,18,28H2,1-6H3,(H,29,31)/t20-,22+,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18280 ((2R,4S,5S,7S)-5-amino-N-butyl-7-{[3-(2-ethoxyethox...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCOCC)c1)C(C)C |r| Show InChI InChI=1S/C27H48N2O5/c1-7-9-12-29-27(31)20(5)15-24(30)23(28)18-22(19(3)4)16-21-10-11-25(32-6)26(17-21)34-14-13-33-8-2/h10-11,17,19-20,22-24,30H,7-9,12-16,18,28H2,1-6H3,(H,29,31)/t20-,22+,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18303 (8-phenyl-octanecarboxamide peptidomimetic, 60 | et...) Show SMILES CCOC(=O)CCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C28H48N2O7/c1-7-36-27(32)11-12-30-28(33)20(4)15-24(31)23(29)18-22(19(2)3)16-21-9-10-25(35-6)26(17-21)37-14-8-13-34-5/h9-10,17,19-20,22-24,31H,7-8,11-16,18,29H2,1-6H3,(H,30,33)/t20-,22+,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18277 ((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-meth...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCc2ccncc2)c1)C(C)C |r| Show InChI InChI=1S/C29H45N3O4/c1-6-7-12-32-29(34)21(4)15-26(33)25(30)18-24(20(2)3)16-23-8-9-27(35-5)28(17-23)36-19-22-10-13-31-14-11-22/h8-11,13-14,17,20-21,24-26,33H,6-7,12,15-16,18-19,30H2,1-5H3,(H,32,34)/t21-,24+,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18300 ((2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCC(CC2)OC)C(C)C)ccc1OC |r| Show InChI InChI=1S/C31H55N3O6/c1-22(2)25(19-24-8-9-29(39-6)30(20-24)40-17-7-16-37-4)21-27(32)28(35)18-23(3)31(36)33-12-15-34-13-10-26(38-5)11-14-34/h8-9,20,22-23,25-28,35H,7,10-19,21,32H2,1-6H3,(H,33,36)/t23-,25+,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18283 ((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[3-(3-h...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCO)c1)C(C)C |r| Show InChI InChI=1S/C26H46N2O5/c1-6-7-11-28-26(31)19(4)14-23(30)22(27)17-21(18(2)3)15-20-9-10-24(32-5)25(16-20)33-13-8-12-29/h9-10,16,18-19,21-23,29-30H,6-8,11-15,17,27H2,1-5H3,(H,28,31)/t19-,21+,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18269 (8-phenyl-octanecarboxamide peptidomimetic, 27 | me...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCC(=O)OC)c1)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C29H50N2O5/c1-9-10-13-31-28(34)20(4)14-25(32)24(30)17-22(19(2)3)15-21-11-12-23(29(5,6)7)26(16-21)36-18-27(33)35-8/h11-12,16,19-20,22,24-25,32H,9-10,13-15,17-18,30H2,1-8H3,(H,31,34)/t20-,22+,24+,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	6	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18305 (4-[(2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCCOC(C)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C29H50N2O7/c1-20(2)24(17-23-10-11-27(36-6)28(18-23)38-15-9-13-35-5)19-25(30)26(33)16-21(3)29(34)31-12-7-8-14-37-22(4)32/h10-11,18,20-21,24-26,33H,7-9,12-17,19,30H2,1-6H3,(H,31,34)/t21-,24+,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18315 ((2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCS(=O)(=O)C(C)(C)C)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H54N2O7S/c1-21(2)24(18-23-11-12-27(38-8)28(19-23)39-15-10-14-37-7)20-25(31)26(33)17-22(3)29(34)32-13-9-16-40(35,36)30(4,5)6/h11-12,19,21-22,24-26,33H,9-10,13-18,20,31H2,1-8H3,(H,32,34)/t22-,24+,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18307 ((2R,4S,5S,7S)-5-amino-N-(2-carbamoylethyl)-4-hydro...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCC(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C26H45N3O6/c1-17(2)20(14-19-7-8-23(34-5)24(15-19)35-12-6-11-33-4)16-21(27)22(30)13-18(3)26(32)29-10-9-25(28)31/h7-8,15,17-18,20-22,30H,6,9-14,16,27H2,1-5H3,(H2,28,31)(H,29,32)/t18-,20+,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18317 ((2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCc2ccccn2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H47N3O5/c1-21(2)24(18-23-10-11-28(37-5)29(19-23)38-16-8-15-36-4)20-26(31)27(34)17-22(3)30(35)33-14-12-25-9-6-7-13-32-25/h6-7,9-11,13,19,21-22,24,26-27,34H,8,12,14-18,20,31H2,1-5H3,(H,33,35)/t22-,24+,26+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18299 ((2R,4S,5S,7S)-5-amino-4-hydroxy-N-[2-(4-hydroxypip...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCC(O)CC2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-21(2)24(18-23-7-8-28(38-5)29(19-23)39-16-6-15-37-4)20-26(31)27(35)17-22(3)30(36)32-11-14-33-12-9-25(34)10-13-33/h7-8,19,21-22,24-27,34-35H,6,9-18,20,31H2,1-5H3,(H,32,36)/t22-,24+,26+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18279 ((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-meth...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCOC)c1)C(C)C |r| Show InChI InChI=1S/C26H46N2O5/c1-7-8-11-28-26(30)19(4)14-23(29)22(27)17-21(18(2)3)15-20-9-10-24(32-6)25(16-20)33-13-12-31-5/h9-10,16,18-19,21-23,29H,7-8,11-15,17,27H2,1-6H3,(H,28,30)/t19-,21+,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18296 ((2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCN2CCOCC2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-22(2)25(19-24-8-9-28(37-5)29(20-24)39-15-7-14-36-4)21-26(31)27(34)18-23(3)30(35)32-10-6-11-33-12-16-38-17-13-33/h8-9,20,22-23,25-27,34H,6-7,10-19,21,31H2,1-5H3,(H,32,35)/t23-,25+,26+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18301 (3-[(2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCC(O)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C26H44N2O7/c1-17(2)20(14-19-7-8-23(34-5)24(15-19)35-12-6-11-33-4)16-21(27)22(29)13-18(3)26(32)28-10-9-25(30)31/h7-8,15,17-18,20-22,29H,6,9-14,16,27H2,1-5H3,(H,28,32)(H,30,31)/t18-,20+,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18274 ((2R,4S,5S,7S)-5-amino-N-butyl-7-{[4-tert-butyl-3-(...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCS(C)(=O)=O)c1)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C28H50N2O5S/c1-9-10-13-30-27(32)20(4)14-25(31)24(29)17-22(19(2)3)15-21-11-12-23(28(5,6)7)26(16-21)35-18-36(8,33)34/h11-12,16,19-20,22,24-25,31H,9-10,13-15,17-18,29H2,1-8H3,(H,30,32)/t20-,22+,24+,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	13	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18291 ((2R,4S,5S,7S)-5-amino-N-(3-aminopropyl)-4-hydroxy-...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCN)C(C)C)ccc1OC |r| Show InChI InChI=1S/C26H47N3O5/c1-18(2)21(17-22(28)23(30)14-19(3)26(31)29-11-6-10-27)15-20-8-9-24(33-5)25(16-20)34-13-7-12-32-4/h8-9,16,18-19,21-23,30H,6-7,10-15,17,27-28H2,1-5H3,(H,29,31)/t19-,21+,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18290 ((2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN(C)C)C(C)C)ccc1OC |r| Show InChI InChI=1S/C27H49N3O5/c1-19(2)22(16-21-9-10-25(34-7)26(17-21)35-14-8-13-33-6)18-23(28)24(31)15-20(3)27(32)29-11-12-30(4)5/h9-10,17,19-20,22-24,31H,8,11-16,18,28H2,1-7H3,(H,29,32)/t20-,22+,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18285 ((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-({4-meth...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCOCCOC)c1)C(C)C |r| Show InChI InChI=1S/C28H50N2O6/c1-7-8-11-30-28(32)21(4)16-25(31)24(29)19-23(20(2)3)17-22-9-10-26(34-6)27(18-22)36-15-14-35-13-12-33-5/h9-10,18,20-21,23-25,31H,7-8,11-17,19,29H2,1-6H3,(H,30,32)/t21-,23+,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18271 ((2R,4S,5S,7S)-5-amino-N-butyl-7-{[4-tert-butyl-3-(...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCC(N)=O)c1)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C28H49N3O4/c1-8-9-12-31-27(34)19(4)13-24(32)23(29)16-21(18(2)3)14-20-10-11-22(28(5,6)7)25(15-20)35-17-26(30)33/h10-11,15,18-19,21,23-24,32H,8-9,12-14,16-17,29H2,1-7H3,(H2,30,33)(H,31,34)/t19-,21+,23+,24+/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	20	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18292 ((2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCCCC2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O5/c1-22(2)25(19-24-10-11-28(37-5)29(20-24)38-17-9-16-36-4)21-26(31)27(34)18-23(3)30(35)32-12-15-33-13-7-6-8-14-33/h10-11,20,22-23,25-27,34H,6-9,12-19,21,31H2,1-5H3,(H,32,35)/t23-,25+,26+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18276 ((2R,4S,5S,7S)-5-amino-N-butyl-7-{[4-tert-butyl-3-(...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCc2ccncc2)c1)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C32H51N3O3/c1-8-9-14-35-31(37)23(4)17-29(36)28(33)20-26(22(2)3)18-25-10-11-27(32(5,6)7)30(19-25)38-21-24-12-15-34-16-13-24/h10-13,15-16,19,22-23,26,28-29,36H,8-9,14,17-18,20-21,33H2,1-7H3,(H,35,37)/t23-,26+,28+,29+/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	26	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18273 ((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-({4-meth...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCC(=O)NC)c1)C(C)C |r| Show InChI InChI=1S/C26H45N3O5/c1-7-8-11-29-26(32)18(4)12-22(30)21(27)15-20(17(2)3)13-19-9-10-23(33-6)24(14-19)34-16-25(31)28-5/h9-10,14,17-18,20-22,30H,7-8,11-13,15-16,27H2,1-6H3,(H,28,31)(H,29,32)/t18-,20+,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair

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