BDBM50350924 CHEMBL1818061

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

InChI Key: InChIKey=XYTLPMNVNDXVQL-XDDUCGQKSA-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 = 50350924   

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))	BDBM50350924 (CHEMBL1818061) Show SMILES COC(=O)NCCO[C@H]([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1cccc(F)c1-c1cccc(C)c1 |r| Show InChI InChI=1S/C29H38FN3O5/c1-18-6-3-7-19(14-18)26-22(9-4-10-23(26)30)27(38-13-11-32-29(36)37-2)20-8-5-12-33(17-20)28(35)21-15-24(31)25(34)16-21/h3-4,6-7,9-10,14,20-21,24-25,27,34H,5,8,11-13,15-17,31H2,1-2H3,(H,32,36)/t20-,21+,24-,25+,27-/m1/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	5.20	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
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