BDBM50268007 CHEMBL4092260

SMILES: OC1(C(=NNc2nnnn12)C(=O)c1ccccc1)C(F)(F)F

InChI Key: InChIKey=UISCBLVXESQFLQ-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 = 50268007   

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
Carboxylesterase (Sus scrofa)	BDBM50268007 (CHEMBL4092260) Show SMILES OC1(C(=NNc2nnnn12)C(=O)c1ccccc1)C(F)(F)F |c:2| Show InChI InChI=1S/C11H7F3N6O2/c12-11(13,14)10(22)8(7(21)6-4-2-1-3-5-6)15-16-9-17-18-19-20(9)10/h1-5,22H,(H,16,17,19)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Postovsky Institute of Organic Synthesis, Urals Branch of Russian Academy of Sciences, Yekaterinburg 620990, Russia. Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				Bioorg Med Chem 25: 3997-4007 (2017) Article DOI: 10.1016/j.bmc.2017.05.045 BindingDB Entry DOI: 10.7270/Q2F76G21
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