Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50023093'   

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))	BDBM50023093 (Boc-Phe-His-Sta-Leu-10,11-dihydro-5H-dibenzo[a,d]-...) 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)NC1Cc2ccccc2C(=C)c2ccccc12 Show InChI InChI=1S/C50H65N7O7/c1-30(2)22-40(55-48(62)43(26-35-28-51-29-52-35)56-47(61)42(24-33-16-10-9-11-17-33)57-49(63)64-50(6,7)8)44(58)27-45(59)53-41(23-31(3)4)46(60)54-39-25-34-18-12-13-19-36(34)32(5)37-20-14-15-21-38(37)39/h9-21,28-31,39-44,58H,5,22-27H2,1-4,6-8H3,(H,51,52)(H,53,59)(H,54,60)(H,55,62)(H,56,61)(H,57,63)/t39?,40?,41-,42-,43-,44?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	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
Renin (Homo sapiens (Human))	BDBM50023093 (Boc-Phe-His-Sta-Leu-10,11-dihydro-5H-dibenzo[a,d]-...) 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)NC1Cc2ccccc2C(=C)c2ccccc12 Show InChI InChI=1S/C50H65N7O7/c1-30(2)22-40(55-48(62)43(26-35-28-51-29-52-35)56-47(61)42(24-33-16-10-9-11-17-33)57-49(63)64-50(6,7)8)44(58)27-45(59)53-41(23-31(3)4)46(60)54-39-25-34-18-12-13-19-36(34)32(5)37-20-14-15-21-38(37)39/h9-21,28-31,39-44,58H,5,22-27H2,1-4,6-8H3,(H,51,52)(H,53,59)(H,54,60)(H,55,62)(H,56,61)(H,57,63)/t39?,40?,41-,42-,43-,44?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	320	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
Renin (Homo sapiens (Human))	BDBM50023093 (Boc-Phe-His-Sta-Leu-10,11-dihydro-5H-dibenzo[a,d]-...) 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)NC1Cc2ccccc2C(=C)c2ccccc12 Show InChI InChI=1S/C50H65N7O7/c1-30(2)22-40(55-48(62)43(26-35-28-51-29-52-35)56-47(61)42(24-33-16-10-9-11-17-33)57-49(63)64-50(6,7)8)44(58)27-45(59)53-41(23-31(3)4)46(60)54-39-25-34-18-12-13-19-36(34)32(5)37-20-14-15-21-38(37)39/h9-21,28-31,39-44,58H,5,22-27H2,1-4,6-8H3,(H,51,52)(H,53,59)(H,54,60)(H,55,62)(H,56,61)(H,57,63)/t39?,40?,41-,42-,43-,44?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	520	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