BDBM50012946 6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propionylamino]-hexanoic acid (2-morpholin-4-yl-ethyl)-amide::CHEMBL74310

SMILES: CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN1CCOCC1)-c1cccnc1

InChI Key: InChIKey=BLFUASLRZDWGFS-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 = 50012946   

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))	BDBM50012946 (6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...) Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN1CCOCC1)-c1cccnc1 Show InChI InChI=1S/C42H59N9O4/c1-4-10-35-40-49-48-39(51(40)28-37(46-35)32-14-9-16-44-27-32)34(23-31-13-8-15-43-26-31)42(54)47-36(24-30-11-6-5-7-12-30)38(52)25-33(29(2)3)41(53)45-17-18-50-19-21-55-22-20-50/h8-9,13-16,26-30,33-34,36,38,52H,4-7,10-12,17-25H2,1-3H3,(H,45,53)(H,47,54)	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	0.400	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