BDBM50358319 CHEMBL1922548

SMILES: COC(=O)C(OP(C)(=O)OCc1cn(C[C@@H](NC(=O)CN(Cc2ccccc2)C(=O)C(F)(F)F)C(C)C)nn1)C(F)(F)F

InChI Key: InChIKey=NKFZFYAEMBRNQW-CPIOVHPHSA-N

Data: 2 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 = 50358319   

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)	BDBM50358319 (CHEMBL1922548) Show SMILES COC(=O)C(OP(C)(=O)OCc1cn(C[C@@H](NC(=O)CN(Cc2ccccc2)C(=O)C(F)(F)F)C(C)C)nn1)C(F)(F)F |r| Show InChI InChI=1S/C24H30F6N5O7P/c1-15(2)18(31-19(36)13-34(22(38)24(28,29)30)10-16-8-6-5-7-9-16)12-35-11-17(32-33-35)14-41-43(4,39)42-20(21(37)40-3)23(25,26)27/h5-9,11,15,18,20H,10,12-14H2,1-4H3,(H,31,36)/t18-,20?,43?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+5	n/a	n/a	n/a	n/a	n/a	n/a
Moscow State University Curated by ChEMBL					Assay Description Inhibition of pig liver carboxylesterase using p-nitrophenyl acetate as substrate by spectrophotometric analysis				Bioorg Med Chem Lett 21: 7216-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.030 BindingDB Entry DOI: 10.7270/Q2W66M65
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50358319 (CHEMBL1922548) Show SMILES COC(=O)C(OP(C)(=O)OCc1cn(C[C@@H](NC(=O)CN(Cc2ccccc2)C(=O)C(F)(F)F)C(C)C)nn1)C(F)(F)F |r| Show InChI InChI=1S/C24H30F6N5O7P/c1-15(2)18(31-19(36)13-34(22(38)24(28,29)30)10-16-8-6-5-7-9-16)12-35-11-17(32-33-35)14-41-43(4,39)42-20(21(37)40-3)23(25,26)27/h5-9,11,15,18,20H,10,12-14H2,1-4H3,(H,31,36)/t18-,20?,43?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Moscow State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE incubated for 12 mins before addition of butyrylcholine iodide substrate by spectrophotometric analysis				Bioorg Med Chem Lett 21: 7216-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.030 BindingDB Entry DOI: 10.7270/Q2W66M65
					More data for this Ligand-Target Pair