Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50451339'   

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))	BDBM50451339 (CHEMBL4210995) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC(CNC)OC)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C31H44FN3O5/c1-5-22-10-6-11-23(18-22)29-26(13-7-14-27(29)32)31(38,15-9-16-34-30(37)40-4)24-12-8-17-35(21-24)28(36)19-25(39-3)20-33-2/h6-7,10-11,13-14,18,24-25,33,38H,5,8-9,12,15-17,19-21H2,1-4H3,(H,34,37)/t24-,25?,31?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451339 (CHEMBL4210995) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC(CNC)OC)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C31H44FN3O5/c1-5-22-10-6-11-23(18-22)29-26(13-7-14-27(29)32)31(38,15-9-16-34-30(37)40-4)24-12-8-17-35(21-24)28(36)19-25(39-3)20-33-2/h6-7,10-11,13-14,18,24-25,33,38H,5,8-9,12,15-17,19-21H2,1-4H3,(H,34,37)/t24-,25?,31?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair