BDBM50267979 CHEMBL4069738

SMILES: COC(=O)C1=NNc2cc(nn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)-c1ccccc1

InChI Key: InChIKey=WJOUPXRSFOIBCT-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50267979   

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)	BDBM50267979 (CHEMBL4069738) Show SMILES COC(=O)C1=NNc2cc(nn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)-c1ccccc1 |t:4| Show InChI InChI=1S/C17H11F9N4O3/c1-33-12(31)11-13(32,14(18,19)15(20,21)16(22,23)17(24,25)26)30-10(27-28-11)7-9(29-30)8-5-3-2-4-6-8/h2-7,27,32H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	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 Competitive inhibition of porcine liver carboxylesterase using varying levels of 4-nitrophenol acetate as substrate preincubated for 10 mins followed...				Bioorg Med Chem 25: 3997-4007 (2017) Article DOI: 10.1016/j.bmc.2017.05.045 BindingDB Entry DOI: 10.7270/Q2F76G21
					More data for this Ligand-Target Pair
Carboxylesterase (Sus scrofa)	BDBM50267979 (CHEMBL4069738) Show SMILES COC(=O)C1=NNc2cc(nn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)-c1ccccc1 |t:4| Show InChI InChI=1S/C17H11F9N4O3/c1-33-12(31)11-13(32,14(18,19)15(20,21)16(22,23)17(24,25)26)30-10(27-28-11)7-9(29-30)8-5-3-2-4-6-8/h2-7,27,32H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	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
					More data for this Ligand-Target Pair