BDBM50012939 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 (pyridin-2-ylmethyl)-amide::CHEMBL77107

SMILES: CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCc1ccccn1)-c1cccnc1

InChI Key: InChIKey=RBOBSWNSXTXCCX-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 = 50012939   

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))	BDBM50012939 (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)NCc1ccccn1)-c1cccnc1 Show InChI InChI=1S/C42H53N9O3/c1-4-12-35-40-50-49-39(51(40)27-37(47-35)31-16-11-19-44-25-31)34(21-30-15-10-18-43-24-30)42(54)48-36(22-29-13-6-5-7-14-29)38(52)23-33(28(2)3)41(53)46-26-32-17-8-9-20-45-32/h8-11,15-20,24-25,27-29,33-34,36,38,52H,4-7,12-14,21-23,26H2,1-3H3,(H,46,53)(H,48,54)	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	0.600	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