Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50023095'   

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))	BDBM50023095 (Boc-Phe-His-Sta-Leu-(+)-alpha-naphthylthylamide | ...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(C)c1ccc2ccccc2c1 Show InChI InChI=1S/C46H63N7O7/c1-28(2)20-36(40(54)25-41(55)50-37(21-29(3)4)42(56)49-30(5)33-19-18-32-16-12-13-17-34(32)23-33)51-44(58)39(24-35-26-47-27-48-35)52-43(57)38(22-31-14-10-9-11-15-31)53-45(59)60-46(6,7)8/h9-19,23,26-30,36-40,54H,20-22,24-25H2,1-8H3,(H,47,48)(H,49,56)(H,50,55)(H,51,58)(H,52,57)(H,53,59)/t30?,36?,37-,38-,39-,40?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of hog kidney renin at 10e-9 M concentration				J Med Chem 30: 1853-7 (1987) BindingDB Entry DOI: 10.7270/Q2C24VDZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50023095 (Boc-Phe-His-Sta-Leu-(+)-alpha-naphthylthylamide | ...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(C)c1ccc2ccccc2c1 Show InChI InChI=1S/C46H63N7O7/c1-28(2)20-36(40(54)25-41(55)50-37(21-29(3)4)42(56)49-30(5)33-19-18-32-16-12-13-17-34(32)23-33)51-44(58)39(24-35-26-47-27-48-35)52-43(57)38(22-31-14-10-9-11-15-31)53-45(59)60-46(6,7)8/h9-19,23,26-30,36-40,54H,20-22,24-25H2,1-8H3,(H,47,48)(H,49,56)(H,50,55)(H,51,58)(H,52,57)(H,53,59)/t30?,36?,37-,38-,39-,40?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human kidney renin, radioimmunoassay using the natural substrate partially pure angiotensinogen at 10e-9 M concentration				J Med Chem 30: 1853-7 (1987) BindingDB Entry DOI: 10.7270/Q2C24VDZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50023095 (Boc-Phe-His-Sta-Leu-(+)-alpha-naphthylthylamide | ...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(C)c1ccc2ccccc2c1 Show InChI InChI=1S/C46H63N7O7/c1-28(2)20-36(40(54)25-41(55)50-37(21-29(3)4)42(56)49-30(5)33-19-18-32-16-12-13-17-34(32)23-33)51-44(58)39(24-35-26-47-27-48-35)52-43(57)38(22-31-14-10-9-11-15-31)53-45(59)60-46(6,7)8/h9-19,23,26-30,36-40,54H,20-22,24-25H2,1-8H3,(H,47,48)(H,49,56)(H,50,55)(H,51,58)(H,52,57)(H,53,59)/t30?,36?,37-,38-,39-,40?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human kidney renin, radioimmunoassay using the natural substrate partially pure angiotensinogen at 10e-9 M concentration				J Med Chem 30: 1853-7 (1987) BindingDB Entry DOI: 10.7270/Q2C24VDZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50023095 (Boc-Phe-His-Sta-Leu-(+)-alpha-naphthylthylamide | ...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(C)c1ccc2ccccc2c1 Show InChI InChI=1S/C46H63N7O7/c1-28(2)20-36(40(54)25-41(55)50-37(21-29(3)4)42(56)49-30(5)33-19-18-32-16-12-13-17-34(32)23-33)51-44(58)39(24-35-26-47-27-48-35)52-43(57)38(22-31-14-10-9-11-15-31)53-45(59)60-46(6,7)8/h9-19,23,26-30,36-40,54H,20-22,24-25H2,1-8H3,(H,47,48)(H,49,56)(H,50,55)(H,51,58)(H,52,57)(H,53,59)/t30?,36?,37-,38-,39-,40?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human kidney renin, radioimmunoassay using a synthetic tetradecapeptide renin substrate at 10e-9 M concentration				J Med Chem 30: 1853-7 (1987) BindingDB Entry DOI: 10.7270/Q2C24VDZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50023095 (Boc-Phe-His-Sta-Leu-(+)-alpha-naphthylthylamide | ...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(C)c1ccc2ccccc2c1 Show InChI InChI=1S/C46H63N7O7/c1-28(2)20-36(40(54)25-41(55)50-37(21-29(3)4)42(56)49-30(5)33-19-18-32-16-12-13-17-34(32)23-33)51-44(58)39(24-35-26-47-27-48-35)52-43(57)38(22-31-14-10-9-11-15-31)53-45(59)60-46(6,7)8/h9-19,23,26-30,36-40,54H,20-22,24-25H2,1-8H3,(H,47,48)(H,49,56)(H,50,55)(H,51,58)(H,52,57)(H,53,59)/t30?,36?,37-,38-,39-,40?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human plasma renin at 10e-9 M concentration				J Med Chem 30: 1853-7 (1987) BindingDB Entry DOI: 10.7270/Q2C24VDZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50023095 (Boc-Phe-His-Sta-Leu-(+)-alpha-naphthylthylamide | ...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(C)c1ccc2ccccc2c1 Show InChI InChI=1S/C46H63N7O7/c1-28(2)20-36(40(54)25-41(55)50-37(21-29(3)4)42(56)49-30(5)33-19-18-32-16-12-13-17-34(32)23-33)51-44(58)39(24-35-26-47-27-48-35)52-43(57)38(22-31-14-10-9-11-15-31)53-45(59)60-46(6,7)8/h9-19,23,26-30,36-40,54H,20-22,24-25H2,1-8H3,(H,47,48)(H,49,56)(H,50,55)(H,51,58)(H,52,57)(H,53,59)/t30?,36?,37-,38-,39-,40?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human kidney renin, fluorometric assay using a synthetic tetradecapeptide renin substrate at 10e-9 M concentration				J Med Chem 30: 1853-7 (1987) BindingDB Entry DOI: 10.7270/Q2C24VDZ
					More data for this Ligand-Target Pair