Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50365572'   

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))	BDBM50365572 (CHEMBL1957797) Show SMILES COC[C@H](C)COCc1ccc(cc1)[C@@]1(O)CCNC[C@@H]1c1ccc(cc1C)-c1ccccc1CCNC(C)=O |r| Show InChI InChI=1S/C34H44N2O4/c1-24(21-39-4)22-40-23-27-9-12-30(13-10-27)34(38)16-18-35-20-33(34)31-14-11-29(19-25(31)2)32-8-6-5-7-28(32)15-17-36-26(3)37/h5-14,19,24,33,35,38H,15-18,20-23H2,1-4H3,(H,36,37)/t24-,33+,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by fluorimetry				Bioorg Med Chem Lett 22: 1953-7 (2012) Article DOI: 10.1016/j.bmcl.2012.01.044 BindingDB Entry DOI: 10.7270/Q22F7NXB
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50365572 (CHEMBL1957797) Show SMILES COC[C@H](C)COCc1ccc(cc1)[C@@]1(O)CCNC[C@@H]1c1ccc(cc1C)-c1ccccc1CCNC(C)=O |r| Show InChI InChI=1S/C34H44N2O4/c1-24(21-39-4)22-40-23-27-9-12-30(13-10-27)34(38)16-18-35-20-33(34)31-14-11-29(19-25(31)2)32-8-6-5-7-28(32)15-17-36-26(3)37/h5-14,19,24,33,35,38H,15-18,20-23H2,1-4H3,(H,36,37)/t24-,33+,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 mins prior to sub...				Bioorg Med Chem Lett 22: 1953-7 (2012) Article DOI: 10.1016/j.bmcl.2012.01.044 BindingDB Entry DOI: 10.7270/Q22F7NXB
					More data for this Ligand-Target Pair