Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50311799'   

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))	BDBM50311799 ((1R,5R)-3-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...) Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C([C@H]3CC[C@H](C2)N3)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |r,t:18,TLB:14:17:24:20.21,THB:25:18:24:20.21| Show InChI InChI=1S/C33H31Cl3F2N2O2/c34-25-5-1-4-21(30(25)35)18-40(23-11-12-23)33(41)29-24(17-22-10-15-28(29)39-22)20-8-6-19(7-9-20)3-2-16-42-32-27(38)14-13-26(37)31(32)36/h1,4-9,13-14,22-23,28,39H,2-3,10-12,15-18H2/t22-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay				Bioorg Med Chem Lett 19: 6762-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.104 BindingDB Entry DOI: 10.7270/Q23F4PRP
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50311799 ((1R,5R)-3-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...) Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C([C@H]3CC[C@H](C2)N3)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |r,t:18,TLB:14:17:24:20.21,THB:25:18:24:20.21| Show InChI InChI=1S/C33H31Cl3F2N2O2/c34-25-5-1-4-21(30(25)35)18-40(23-11-12-23)33(41)29-24(17-22-10-15-28(29)39-22)20-8-6-19(7-9-20)3-2-16-42-32-27(38)14-13-26(37)31(32)36/h1,4-9,13-14,22-23,28,39H,2-3,10-12,15-18H2/t22-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of human rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay				Bioorg Med Chem Lett 19: 6762-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.104 BindingDB Entry DOI: 10.7270/Q23F4PRP
					More data for this Ligand-Target Pair				3D Structure (docked)