BDBM50066156 CHEMBL3400457

SMILES: COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)CC1CCCC1)C(C)C

InChI Key: InChIKey=SCYMXLYMBODESZ-XZOQPEGZSA-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 = 50066156   

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))	BDBM50066156 (CHEMBL3400457) Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)CC1CCCC1)C(C)C |r| Show InChI InChI=1S/C26H43N3O6S/c1-19(2)29(26(30)21-10-11-24(34-4)25(14-21)35-13-7-12-33-3)17-22-15-27-16-23(22)28-36(31,32)18-20-8-5-6-9-20/h10-11,14,19-20,22-23,27-28H,5-9,12-13,15-18H2,1-4H3/t22-,23+/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of recombinant human renin by fluorescence based FRET assay				Bioorg Med Chem Lett 25: 1782-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.039 BindingDB Entry DOI: 10.7270/Q2Z039TX
					More data for this Ligand-Target Pair