Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50328925'   

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))	BDBM50328925 ((3S,4R)-4-(6-((3-(2-chloro-3,6-difluorophenyl)-2,3...) Show SMILES COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(OCC3=CC(NO3)c3c(F)ccc(F)c3Cl)nc2)c1 |r,t:32| Show InChI InChI=1S/C34H36Cl2F2N4O5/c1-45-13-10-20-2-6-26(35)21(14-20)18-42(23-4-5-23)33(43)25-17-39-12-11-34(25,44)22-3-9-30(40-16-22)46-19-24-15-29(41-47-24)31-27(37)7-8-28(38)32(31)36/h2-3,6-9,14-16,23,25,29,39,41,44H,4-5,10-13,17-19H2,1H3/t25-,29?,34+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328925 ((3S,4R)-4-(6-((3-(2-chloro-3,6-difluorophenyl)-2,3...) Show SMILES COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(OCC3=CC(NO3)c3c(F)ccc(F)c3Cl)nc2)c1 |r,t:32| Show InChI InChI=1S/C34H36Cl2F2N4O5/c1-45-13-10-20-2-6-26(35)21(14-20)18-42(23-4-5-23)33(43)25-17-39-12-11-34(25,44)22-3-9-30(40-16-22)46-19-24-15-29(41-47-24)31-27(37)7-8-28(38)32(31)36/h2-3,6-9,14-16,23,25,29,39,41,44H,4-5,10-13,17-19H2,1H3/t25-,29?,34+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in plasma				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair