BDBM50267996 CHEMBL4099381

SMILES: CCOC(=O)c1cnn2c1NN=C(C(=O)OC)C2(O)C(F)(F)C(F)(F)C(F)(F)F

InChI Key: InChIKey=MACZOLIOJVQNRQ-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 = 50267996   

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)	BDBM50267996 (CHEMBL4099381) Show SMILES CCOC(=O)c1cnn2c1NN=C(C(=O)OC)C2(O)C(F)(F)C(F)(F)C(F)(F)F |t:12| Show InChI InChI=1S/C13H11F7N4O5/c1-3-29-8(25)5-4-21-24-7(5)23-22-6(9(26)28-2)10(24,27)11(14,15)12(16,17)13(18,19)20/h4,23,27H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.82E+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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