BDBM50352899 CHEMBL1824899

SMILES: COc1cc2n(C3CCCCC3)c(Cc3cccc(F)c3C)c(C(=O)N3CCN[C@@H](C)C3)c2cn1

InChI Key: InChIKey=JRIXSNMKSIZXGS-SFHVURJKSA-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 = 50352899   

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))	BDBM50352899 (CHEMBL1824899) Show SMILES COc1cc2n(C3CCCCC3)c(Cc3cccc(F)c3C)c(C(=O)N3CCN[C@@H](C)C3)c2cn1 |r| Show InChI InChI=1S/C28H35FN4O2/c1-18-17-32(13-12-30-18)28(34)27-22-16-31-26(35-3)15-24(22)33(21-9-5-4-6-10-21)25(27)14-20-8-7-11-23(29)19(20)2/h7-8,11,15-16,18,21,30H,4-6,9-10,12-14,17H2,1-3H3/t18-/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	320	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using Dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 2 hrs by spectrofluorom...				Bioorg Med Chem Lett 21: 5487-92 (2011) Article DOI: 10.1016/j.bmcl.2011.06.112 BindingDB Entry DOI: 10.7270/Q2RX9CFJ
					More data for this Ligand-Target Pair