Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 458.5 BDBM50265401

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
cGMP-dependent protein kinase (Eimeria tenella)	BDBM50265401 (4-{2-(4-Fluorophenyl)-7-[1-(2-methylbutyl)piperidi...) Show SMILES CCC(C)CN1CCC(CC1)c1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(N)n1 Show InChI InChI=1S/C27H31FN6/c1-3-18(2)17-33-13-9-19(10-14-33)21-11-15-34-24(16-21)32-25(20-4-6-22(28)7-5-20)26(34)23-8-12-30-27(29)31-23/h4-8,11-12,15-16,18-19H,3,9-10,13-14,17H2,1-2H3,(H2,29,30,31)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
SCYNEXIS, Inc. Curated by ChEMBL					Assay Description Inhibition of Eimeria tenella cGMP-dependent protein kinase				Eur J Med Chem 43: 1123-51 (2008) Article DOI: 10.1016/j.ejmech.2007.09.013 BindingDB Entry DOI: 10.7270/Q28C9W1H
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