Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50287360'   

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))	BDBM50287360 ((2R,4S,5S)-5-Amino-6-[3-(4,4-dimethyl-pentyl)-cycl...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC1CCCC(CCCC(C)(C)C)C1 Show InChI InChI=1S/C24H48N2O2/c1-6-7-14-26-23(28)18(2)15-22(27)21(25)17-20-11-8-10-19(16-20)12-9-13-24(3,4)5/h18-22,27H,6-17,25H2,1-5H3,(H,26,28)/t18-,19?,20?,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	800	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity was tested against purified human renin at pH 7.2				Bioorg Med Chem Lett 6: 1589-1594 (1996) Article DOI: 10.1016/S0960-894X(96)00279-X BindingDB Entry DOI: 10.7270/Q2154H0C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50287360 ((2R,4S,5S)-5-Amino-6-[3-(4,4-dimethyl-pentyl)-cycl...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC1CCCC(CCCC(C)(C)C)C1 Show InChI InChI=1S/C24H48N2O2/c1-6-7-14-26-23(28)18(2)15-22(27)21(25)17-20-11-8-10-19(16-20)12-9-13-24(3,4)5/h18-22,27H,6-17,25H2,1-5H3,(H,26,28)/t18-,19?,20?,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity for human renin at pH 7.2				Bioorg Med Chem Lett 7: 2735-2740 (1997) Article DOI: 10.1016/S0960-894X(97)10067-1 BindingDB Entry DOI: 10.7270/Q2PN95NC
					More data for this Ligand-Target Pair