BDBM50012938 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 (4-hydroxy-butyl)-amide::CHEMBL265486

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

InChI Key: InChIKey=HNAYFFARTYTQQH-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 = 50012938   

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))	BDBM50012938 (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)NCCCCO)-c1cccnc1 Show InChI InChI=1S/C40H56N8O4/c1-4-12-33-38-47-46-37(48(38)26-35(44-33)30-16-11-18-42-25-30)32(21-29-15-10-17-41-24-29)40(52)45-34(22-28-13-6-5-7-14-28)36(50)23-31(27(2)3)39(51)43-19-8-9-20-49/h10-11,15-18,24-28,31-32,34,36,49-50H,4-9,12-14,19-23H2,1-3H3,(H,43,51)(H,45,52)	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	0.300	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