BDBM50012940 6-Cyclohexyl-4-hydroxy-5-[2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-acetylamino]-2-isopropyl-hexanoic acid butylamide::CHEMBL305717

SMILES: CCCCNC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CC(C)C)nc(cn12)-c1ccccc1)C(C)C

InChI Key: InChIKey=OWVGVLMQBILCMY-UHFFFAOYSA-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 = 50012940   

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))	BDBM50012940 (6-Cyclohexyl-4-hydroxy-5-[2-(8-isobutyl-6-phenyl-[...) Show SMILES CCCCNC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CC(C)C)nc(cn12)-c1ccccc1)C(C)C Show InChI InChI=1S/C36H54N6O3/c1-6-7-18-37-36(45)28(25(4)5)21-32(43)29(20-26-14-10-8-11-15-26)39-34(44)22-33-40-41-35-30(19-24(2)3)38-31(23-42(33)35)27-16-12-9-13-17-27/h9,12-13,16-17,23-26,28-29,32,43H,6-8,10-11,14-15,18-22H2,1-5H3,(H,37,45)(H,39,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair