BDBM50350922 CHEMBL1818063

SMILES: COC(=O)NCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1cccc(Cl)c1-c1cccc(C)c1

InChI Key: InChIKey=XMFPYLMRYFHYBN-YWHUKLHMSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50350922   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM50350922 (CHEMBL1818063) Show SMILES COC(=O)NCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1cccc(Cl)c1-c1cccc(C)c1 |r| Show InChI InChI=1S/C30H40ClN3O5/c1-19-7-3-8-20(15-19)27-23(10-4-11-24(27)31)30(38,12-6-13-33-29(37)39-2)22-9-5-14-34(18-22)28(36)21-16-25(32)26(35)17-21/h3-4,7-8,10-11,15,21-22,25-26,35,38H,5-6,9,12-14,16-18,32H2,1-2H3,(H,33,37)/t21-,22+,25+,26-,30-/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using of DABCYL-c-Abu-IleHis-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 60 to 360 mins by fluores...				Bioorg Med Chem Lett 21: 4836-43 (2011) Article DOI: 10.1016/j.bmcl.2011.06.043 BindingDB Entry DOI: 10.7270/Q25M663G
					More data for this Ligand-Target Pair				3D Structure (docked)