Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50012937'   

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))	BDBM50012937 (CHEMBL76697 | Less polar Epimer-6-Cyclohexyl-4-hyd...) Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN(C)C)-c1cccnc1 Show InChI InChI=1S/C40H57N9O3/c1-6-12-33-38-47-46-37(49(38)26-35(44-33)30-16-11-18-42-25-30)32(21-29-15-10-17-41-24-29)40(52)45-34(22-28-13-8-7-9-14-28)36(50)23-31(27(2)3)39(51)43-19-20-48(4)5/h10-11,15-18,24-28,31-32,34,36,50H,6-9,12-14,19-23H2,1-5H3,(H,43,51)(H,45,52)	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012937 (CHEMBL76697 | Less polar Epimer-6-Cyclohexyl-4-hyd...) Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN(C)C)-c1cccnc1 Show InChI InChI=1S/C40H57N9O3/c1-6-12-33-38-47-46-37(49(38)26-35(44-33)30-16-11-18-42-25-30)32(21-29-15-10-17-41-24-29)40(52)45-34(22-28-13-8-7-9-14-28)36(50)23-31(27(2)3)39(51)43-19-20-48(4)5/h10-11,15-18,24-28,31-32,34,36,50H,6-9,12-14,19-23H2,1-5H3,(H,43,51)(H,45,52)	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair