Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50298200'   

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))	BDBM50298200 (CHEMBL550005 | N-((2S,3S,5S)-2-amino-5-(butylcarba...) Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(CC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C29H51N3O5/c1-8-10-14-31-28(34)24(20(3)4)18-26(33)25(30)19-32(21(5)6)29(35)23-13-12-22(9-2)27(17-23)37-16-11-15-36-7/h12-13,17,20-21,24-26,33H,8-11,14-16,18-19,30H2,1-7H3,(H,31,34)/t24-,25-,26-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki International University Curated by ChEMBL					Assay Description Inhibition of purified recombinant human renin				Bioorg Med Chem Lett 19: 4863-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.128 BindingDB Entry DOI: 10.7270/Q2F18ZRG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50298200 (CHEMBL550005 | N-((2S,3S,5S)-2-amino-5-(butylcarba...) Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(CC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C29H51N3O5/c1-8-10-14-31-28(34)24(20(3)4)18-26(33)25(30)19-32(21(5)6)29(35)23-13-12-22(9-2)27(17-23)37-16-11-15-36-7/h12-13,17,20-21,24-26,33H,8-11,14-16,18-19,30H2,1-7H3,(H,31,34)/t24-,25-,26-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki International University Curated by ChEMBL					Assay Description Inhibition of human plasma renin				Bioorg Med Chem Lett 19: 4863-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.128 BindingDB Entry DOI: 10.7270/Q2F18ZRG
					More data for this Ligand-Target Pair