Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50451329'   

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))	BDBM50451329 (CHEMBL4212429) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC1CCCNC1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C32H44FN3O4/c1-3-23-9-4-11-25(19-23)30-27(13-5-14-28(30)33)32(39,15-8-17-35-31(38)40-2)26-12-7-18-36(22-26)29(37)20-24-10-6-16-34-21-24/h4-5,9,11,13-14,19,24,26,34,39H,3,6-8,10,12,15-18,20-22H2,1-2H3,(H,35,38)/t24?,26-,32?/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	2	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))	BDBM50451329 (CHEMBL4212429) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC1CCCNC1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C32H44FN3O4/c1-3-23-9-4-11-25(19-23)30-27(13-5-14-28(30)33)32(39,15-8-17-35-31(38)40-2)26-12-7-18-36(22-26)29(37)20-24-10-6-16-34-21-24/h4-5,9,11,13-14,19,24,26,34,39H,3,6-8,10,12,15-18,20-22H2,1-2H3,(H,35,38)/t24?,26-,32?/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	40	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