Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50014061'   

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))	BDBM50014061 (CHEMBL288411 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CCNC(=O)O1 Show InChI InChI=1S/C33H48N6O7/c1-33(2,3)46-32(44)39-25(17-22-12-8-5-9-13-22)29(41)38-26(18-23-19-34-20-36-23)30(42)37-24(16-21-10-6-4-7-11-21)28(40)27-14-15-35-31(43)45-27/h5,8-9,12-13,19-21,24-28,40H,4,6-7,10-11,14-18H2,1-3H3,(H,34,36)(H,35,43)(H,37,42)(H,38,41)(H,39,44)/t24-,25-,26-,27-,28+/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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of purified human renal renin.				J Med Chem 33: 1582-90 (1990) BindingDB Entry DOI: 10.7270/Q2NK3D0G
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50014061 (CHEMBL288411 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CCNC(=O)O1 Show InChI InChI=1S/C33H48N6O7/c1-33(2,3)46-32(44)39-25(17-22-12-8-5-9-13-22)29(41)38-26(18-23-19-34-20-36-23)30(42)37-24(16-21-10-6-4-7-11-21)28(40)27-14-15-35-31(43)45-27/h5,8-9,12-13,19-21,24-28,40H,4,6-7,10-11,14-18H2,1-3H3,(H,34,36)(H,35,43)(H,37,42)(H,38,41)(H,39,44)/t24-,25-,26-,27-,28+/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	29	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of purified human renal renin.				J Med Chem 33: 1582-90 (1990) BindingDB Entry DOI: 10.7270/Q2NK3D0G
					More data for this Ligand-Target Pair