BDBM50012941 6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-acetylamino]-hexanoic acid butylamide::CHEMBL306777

SMILES: CCCCNC(=O)[C@@H](CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CCC)nc(cn12)-c1cccnc1)C(C)C

InChI Key: InChIKey=XCHUDICJLCLMFI-SNKUFMAISA-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 = 50012941   

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))	BDBM50012941 (6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...) Show SMILES CCCCNC(=O)[C@@H](CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CCC)nc(cn12)-c1cccnc1)C(C)C Show InChI InChI=1S/C34H51N7O3/c1-5-7-17-36-34(44)26(23(3)4)19-30(42)28(18-24-13-9-8-10-14-24)38-32(43)20-31-39-40-33-27(12-6-2)37-29(22-41(31)33)25-15-11-16-35-21-25/h11,15-16,21-24,26,28,30,42H,5-10,12-14,17-20H2,1-4H3,(H,36,44)(H,38,43)/t26-,28?,30?/m0/s1	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	26	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