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SMILES: BrC(C(=O)C(=O)C(Br)c1ccccc1)c1ccccc1

InChI Key: InChIKey=WZJCXRWEUWNMAM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50350316   

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
Liver carboxylesterase 1 (Oryctolagus cuniculus (rabbit))	BDBM50350316 (CHEMBL1812851) Show SMILES BrC(C(=O)C(=O)C(Br)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C16H12Br2O2/c17-13(11-7-3-1-4-8-11)15(19)16(20)14(18)12-9-5-2-6-10-12/h1-10,13-14H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50350316 (CHEMBL1812851) Show SMILES BrC(C(=O)C(=O)C(Br)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C16H12Br2O2/c17-13(11-7-3-1-4-8-11)15(19)16(20)14(18)12-9-5-2-6-10-12/h1-10,13-14H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human liver carboxylesterase1 using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50350316 (CHEMBL1812851) Show SMILES BrC(C(=O)C(=O)C(Br)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C16H12Br2O2/c17-13(11-7-3-1-4-8-11)15(19)16(20)14(18)12-9-5-2-6-10-12/h1-10,13-14H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	334	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50350316 (CHEMBL1812851) Show SMILES BrC(C(=O)C(=O)C(Br)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C16H12Br2O2/c17-13(11-7-3-1-4-8-11)15(19)16(20)14(18)12-9-5-2-6-10-12/h1-10,13-14H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human butyrylcholinesterase using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50350316 (CHEMBL1812851) Show SMILES BrC(C(=O)C(=O)C(Br)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C16H12Br2O2/c17-13(11-7-3-1-4-8-11)15(19)16(20)14(18)12-9-5-2-6-10-12/h1-10,13-14H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase using acetylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair