Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50380994'   

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))	BDBM50380994 (CHEMBL2017113) Show SMILES COC[C@H](C)COCc1ccc(cc1)[C@@]1(O)CCNC[C@@H]1c1noc(c1Br)-c1ccccc1CCNC(C)=O |r| Show InChI InChI=1S/C30H38BrN3O5/c1-20(17-37-3)18-38-19-22-8-10-24(11-9-22)30(36)13-15-32-16-26(30)28-27(31)29(39-34-28)25-7-5-4-6-23(25)12-14-33-21(2)35/h4-11,20,26,32,36H,12-19H2,1-3H3,(H,33,35)/t20-,26+,30-/m0/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	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre 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 fluorescence analysis				Bioorg Med Chem Lett 22: 2670-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.014 BindingDB Entry DOI: 10.7270/Q2MW2J5S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50380994 (CHEMBL2017113) Show SMILES COC[C@H](C)COCc1ccc(cc1)[C@@]1(O)CCNC[C@@H]1c1noc(c1Br)-c1ccccc1CCNC(C)=O |r| Show InChI InChI=1S/C30H38BrN3O5/c1-20(17-37-3)18-38-19-22-8-10-24(11-9-22)30(36)13-15-32-16-26(30)28-27(31)29(39-34-28)25-7-5-4-6-23(25)12-14-33-21(2)35/h4-11,20,26,32,36H,12-19H2,1-3H3,(H,33,35)/t20-,26+,30-/m0/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	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre 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 pretreated for 10 mins measured after 3 hrs ...				Bioorg Med Chem Lett 22: 2670-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.014 BindingDB Entry DOI: 10.7270/Q2MW2J5S
					More data for this Ligand-Target Pair