Compile Data Set for Download or QSAR

Found 170 hits with Last Name = 'fuhrer' and Initial = 'w'   

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))	BDBM17945 ((2S,4S,5S)-5-amino-N-butyl-4-hydroxy-9-[(2S)-2-[(m...) Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](COCOC)Oc2ccccc12)C(C)C |r| Show InChI InChI=1S/C29H49N3O6/c1-7-8-13-31-28(35)22(20(2)3)14-25(33)23(30)15-29(4,5)16-27(34)32-17-21(18-37-19-36-6)38-26-12-10-9-11-24(26)32/h9-12,20-23,25,33H,7-8,13-19,30H2,1-6H3,(H,31,35)/t21-,22-,23-,25-/m0/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	0.100	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...				Chem Biol 7: 493-504 (2000) Article DOI: 10.1016/S1074-5521(00)00134-4 BindingDB Entry DOI: 10.7270/Q2V40SGJ
					More data for this Ligand-Target Pair
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))	BDBM18337 ((2S,4S,5S,7S)-5-amino-N-[2,2-dimethyl-2-(methylcar...) Show SMILES CNC(=O)C(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C31H55N3O6/c1-20(2)23(15-22-11-12-27(39-9)28(16-22)40-14-10-13-38-8)17-25(32)26(35)18-24(21(3)4)29(36)34-19-31(5,6)30(37)33-7/h11-12,16,20-21,23-26,35H,10,13-15,17-19,32H2,1-9H3,(H,33,37)(H,34,36)/t23-,24-,25-,26-/m0/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	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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50022582 (CHEMBL53139 | Diastereomer-5-[2-[2-Benzyl-3-(2-met...) Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30?,32-,33-,34-,35?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Limited Curated by ChEMBL					Assay Description In vitro inhibition of Human kideny renin				J Med Chem 31: 1839-46 (1988) BindingDB Entry DOI: 10.7270/Q2Z03744
					More data for this Ligand-Target Pair				3D Structure (docked)
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	0.400	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...				Chem Biol 7: 493-504 (2000) Article DOI: 10.1016/S1074-5521(00)00134-4 BindingDB Entry DOI: 10.7270/Q2V40SGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM18342 ((2S,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)C)C(=O)NCCN2CCOCC2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C31H55N3O6/c1-22(2)25(18-24-8-9-29(38-6)30(19-24)40-15-7-14-37-5)20-27(32)28(35)21-26(23(3)4)31(36)33-10-11-34-12-16-39-17-13-34/h8-9,19,22-23,25-28,35H,7,10-18,20-21,32H2,1-6H3,(H,33,36)/t25-,26-,27-,28-/m0/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	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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					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))	BDBM17944 (Renin nonpeptide inhibitor, 4 | methyl N-[(3R)-1-[...) Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](Cc2ccccc12)NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C29H48N4O5/c1-7-8-13-31-27(36)22(19(2)3)15-25(34)23(30)16-29(4,5)17-26(35)33-18-21(32-28(37)38-6)14-20-11-9-10-12-24(20)33/h9-12,19,21-23,25,34H,7-8,13-18,30H2,1-6H3,(H,31,36)(H,32,37)/t21-,22+,23+,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	0.5	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...				Chem Biol 7: 493-504 (2000) Article DOI: 10.1016/S1074-5521(00)00134-4 BindingDB Entry DOI: 10.7270/Q2V40SGJ
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM17950 ((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...				Chem Biol 7: 493-504 (2000) Article DOI: 10.1016/S1074-5521(00)00134-4 BindingDB Entry DOI: 10.7270/Q2V40SGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	BDBM18340 ((2S,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)C)C(=O)NC[C@@H]2CCC(=O)N2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H51N3O6/c1-19(2)22(14-21-8-10-27(38-6)28(15-21)39-13-7-12-37-5)16-25(31)26(34)17-24(20(3)4)30(36)32-18-23-9-11-29(35)33-23/h8,10,15,19-20,22-26,34H,7,9,11-14,16-18,31H2,1-6H3,(H,32,36)(H,33,35)/t22-,23-,24-,25-,26-/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 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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18344 ((2S,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)C)C(=O)NCC(C)(C)N2CCOCC2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C33H59N3O6/c1-23(2)26(18-25-10-11-30(40-8)31(19-25)42-15-9-14-39-7)20-28(34)29(37)21-27(24(3)4)32(38)35-22-33(5,6)36-12-16-41-17-13-36/h10-11,19,23-24,26-29,37H,9,12-18,20-22,34H2,1-8H3,(H,35,38)/t26-,27-,28-,29-/m0/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	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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM17950 ((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.600	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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM18323 ((2S,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)C)C(=O)NCCCC(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C29H51N3O6/c1-19(2)22(15-21-10-11-26(37-6)27(16-21)38-14-8-13-36-5)17-24(30)25(33)18-23(20(3)4)29(35)32-12-7-9-28(31)34/h10-11,16,19-20,22-25,33H,7-9,12-15,17-18,30H2,1-6H3,(H2,31,34)(H,32,35)/t22-,23-,24-,25-/m0/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	0.700	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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM17943 (Renin nonpeptide inhibitor, 3 | methyl (3S)-1-[(5S...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@H](Cc2ccccc12)C(=O)OC |r| Show InChI InChI=1S/C27H43N3O5/c1-6-7-12-29-25(33)18(2)13-23(31)21(28)15-27(3,4)16-24(32)30-17-20(26(34)35-5)14-19-10-8-9-11-22(19)30/h8-11,18,20-21,23,31H,6-7,12-17,28H2,1-5H3,(H,29,33)/t18-,20+,21+,23+/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	0.800	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...				Chem Biol 7: 493-504 (2000) Article DOI: 10.1016/S1074-5521(00)00134-4 BindingDB Entry DOI: 10.7270/Q2V40SGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	BDBM18326 ((2S,4S,5S,7S)-5-amino-N-[(1S)-1-carbamoylpropyl]-4...) Show SMILES CC[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C)C(N)=O |r| Show InChI InChI=1S/C29H51N3O6/c1-8-24(28(31)34)32-29(35)22(19(4)5)17-25(33)23(30)16-21(18(2)3)14-20-10-11-26(37-7)27(15-20)38-13-9-12-36-6/h10-11,15,18-19,21-25,33H,8-9,12-14,16-17,30H2,1-7H3,(H2,31,34)(H,32,35)/t21-,22-,23-,24-,25-/m0/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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18338 ((2S,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES CNC(=O)CCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C30H53N3O6/c1-20(2)23(16-22-11-12-27(38-7)28(17-22)39-15-9-14-37-6)18-25(31)26(34)19-24(21(3)4)30(36)33-13-8-10-29(35)32-5/h11-12,17,20-21,23-26,34H,8-10,13-16,18-19,31H2,1-7H3,(H,32,35)(H,33,36)/t23-,24-,25-,26-/m0/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	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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18336 ((2S,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES CNC(=O)[C@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)23(14-22-10-11-27(38-8)28(15-22)39-13-9-12-37-7)16-25(31)26(34)17-24(20(3)4)30(36)33-18-21(5)29(35)32-6/h10-11,15,19-21,23-26,34H,9,12-14,16-18,31H2,1-8H3,(H,32,35)(H,33,36)/t21-,23+,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	0.900	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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18334 ((2S,4S,5S,7S)-5-amino-N-[(2R)-2-carbamoyl-2-methyl...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NC[C@@H](C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C29H51N3O6/c1-18(2)22(13-21-9-10-26(37-7)27(14-21)38-12-8-11-36-6)15-24(30)25(33)16-23(19(3)4)29(35)32-17-20(5)28(31)34/h9-10,14,18-20,22-25,33H,8,11-13,15-17,30H2,1-7H3,(H2,31,34)(H,32,35)/t20-,22+,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	0.900	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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM17948 ((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-({[2-(3-...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](CNC(=O)c1ccccc1OCCCOC)C(C)C |r| Show InChI InChI=1S/C27H47N3O5/c1-6-7-13-29-26(32)20(4)16-24(31)23(28)17-21(19(2)3)18-30-27(33)22-11-8-9-12-25(22)35-15-10-14-34-5/h8-9,11-12,19-21,23-24,31H,6-7,10,13-18,28H2,1-5H3,(H,29,32)(H,30,33)/t20-,21-,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	0.900	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...				Chem Biol 7: 493-504 (2000) Article DOI: 10.1016/S1074-5521(00)00134-4 BindingDB Entry DOI: 10.7270/Q2V40SGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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))	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))	BDBM17941 ((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...) Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30-,32+,33+,34+,35+/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 In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...				Chem Biol 7: 493-504 (2000) Article DOI: 10.1016/S1074-5521(00)00134-4 BindingDB Entry DOI: 10.7270/Q2V40SGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM18350 ((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...) Show SMILES COCCCCc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C31H55N3O5/c1-20(2)24(16-22-12-13-28(39-8)23(15-22)11-9-10-14-38-7)17-26(32)27(35)18-25(21(3)4)29(36)34-19-31(5,6)30(33)37/h12-13,15,20-21,24-27,35H,9-11,14,16-19,32H2,1-8H3,(H2,33,37)(H,34,36)/t24-,25-,26-,27-/m0/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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18339 ((2S,4S,5S,7S)-5-amino-N-[3-(dimethylcarbamoyl)prop...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCC(=O)N(C)C)C(C)C)ccc1OC |r| Show InChI InChI=1S/C31H55N3O6/c1-21(2)24(17-23-12-13-28(39-8)29(18-23)40-16-10-15-38-7)19-26(32)27(35)20-25(22(3)4)31(37)33-14-9-11-30(36)34(5)6/h12-13,18,21-22,24-27,35H,9-11,14-17,19-20,32H2,1-8H3,(H,33,37)/t24-,25-,26-,27-/m0/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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18335 ((2S,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES CNC(=O)[C@@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)23(14-22-10-11-27(38-8)28(15-22)39-13-9-12-37-7)16-25(31)26(34)17-24(20(3)4)30(36)33-18-21(5)29(35)32-6/h10-11,15,19-21,23-26,34H,9,12-14,16-18,31H2,1-8H3,(H,32,35)(H,33,36)/t21-,23-,24-,25-,26-/m0/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	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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18333 ((2S,4S,5S,7S)-5-amino-N-[(2S)-2-carbamoyl-2-methyl...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NC[C@H](C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C29H51N3O6/c1-18(2)22(13-21-9-10-26(37-7)27(14-21)38-12-8-11-36-6)15-24(30)25(33)16-23(19(3)4)29(35)32-17-20(5)28(31)34/h9-10,14,18-20,22-25,33H,8,11-13,15-17,30H2,1-7H3,(H2,31,34)(H,32,35)/t20-,22-,23-,24-,25-/m0/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	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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18331 ((2S,4S,5S,7S)-5-amino-N-[(2S)-1-carbamoylpropan-2-...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)CC(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C29H51N3O6/c1-18(2)22(14-21-9-10-26(37-7)27(15-21)38-12-8-11-36-6)16-24(30)25(33)17-23(19(3)4)29(35)32-20(5)13-28(31)34/h9-10,15,18-20,22-25,33H,8,11-14,16-17,30H2,1-7H3,(H2,31,34)(H,32,35)/t20-,22-,23-,24-,25-/m0/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	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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50022582 (CHEMBL53139 | Diastereomer-5-[2-[2-Benzyl-3-(2-met...) Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30?,32-,33-,34-,35?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Limited Curated by ChEMBL					Assay Description In vitro inhibition of marmoset plasma renin				J Med Chem 31: 1839-46 (1988) BindingDB Entry DOI: 10.7270/Q2Z03744
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18321 ((2S,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-meth...) Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C29H52N2O5/c1-8-9-13-31-29(33)24(21(4)5)19-26(32)25(30)18-23(20(2)3)16-22-11-12-27(35-7)28(17-22)36-15-10-14-34-6/h11-12,17,20-21,23-26,32H,8-10,13-16,18-19,30H2,1-7H3,(H,31,33)/t23-,24-,25-,26-/m0/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	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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18322 ((2S,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)C)C(=O)NCCC(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C28H49N3O6/c1-18(2)21(14-20-8-9-25(36-6)26(15-20)37-13-7-12-35-5)16-23(29)24(32)17-22(19(3)4)28(34)31-11-10-27(30)33/h8-9,15,18-19,21-24,32H,7,10-14,16-17,29H2,1-6H3,(H2,30,33)(H,31,34)/t21-,22-,23-,24-/m0/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	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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					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))	BDBM18327 ((2S,4S,5S,7S)-5-amino-N-[(1S)-1-carbamoyl-2-hydrox...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](CO)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C28H49N3O7/c1-17(2)20(12-19-8-9-25(37-6)26(13-19)38-11-7-10-36-5)14-22(29)24(33)15-21(18(3)4)28(35)31-23(16-32)27(30)34/h8-9,13,17-18,20-24,32-33H,7,10-12,14-16,29H2,1-6H3,(H2,30,34)(H,31,35)/t20-,21-,22-,23-,24-/m0/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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18341 ((2S,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)C)C(=O)NC[C@H]2CCC(=O)N2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H51N3O6/c1-19(2)22(14-21-8-10-27(38-6)28(15-21)39-13-7-12-37-5)16-25(31)26(34)17-24(20(3)4)30(36)32-18-23-9-11-29(35)33-23/h8,10,15,19-20,22-26,34H,7,9,11-14,16-18,31H2,1-6H3,(H,32,36)(H,33,35)/t22-,23+,24-,25-,26-/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	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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18348 ((2S,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)C)C(=O)NCCc2nnn[nH]2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C28H48N6O5/c1-18(2)21(14-20-8-9-25(38-6)26(15-20)39-13-7-12-37-5)16-23(29)24(35)17-22(19(3)4)28(36)30-11-10-27-31-33-34-32-27/h8-9,15,18-19,21-24,35H,7,10-14,16-17,29H2,1-6H3,(H,30,36)(H,31,32,33,34)/t21-,22-,23-,24-/m0/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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18349 ((2S,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(4...) Show SMILES COCCCCc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCN2CCOCC2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C32H57N3O5/c1-23(2)27(20-25-10-11-31(39-6)26(19-25)9-7-8-16-38-5)21-29(33)30(36)22-28(24(3)4)32(37)34-12-13-35-14-17-40-18-15-35/h10-11,19,23-24,27-30,36H,7-9,12-18,20-22,33H2,1-6H3,(H,34,37)/t27-,28-,29-,30-/m0/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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					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))	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))	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))	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))	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))	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))	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))	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

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