BindingDB PrimarySearch_ki

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null

SMILES: Fc1c(F)c(F)c(C(=O)C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(F)c1F

InChI Key: InChIKey=LPUHARRFIWFXIH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 22758
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Coagulation factor XII (Homo sapiens (Human))	BDBM22758 (1-(2,3,4,5,6-pentachlorophenyl)-2-(2,3,4,5,6-penta...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
University of Mississippi					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Oryctolagus cuniculus (rabbit))	BDBM22758 (1-(2,3,4,5,6-pentachlorophenyl)-2-(2,3,4,5,6-penta...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	823	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
University of Mississippi					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM22758 (1-(2,3,4,5,6-pentachlorophenyl)-2-(2,3,4,5,6-penta...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
University of Mississippi					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM22758 (1-(2,3,4,5,6-pentachlorophenyl)-2-(2,3,4,5,6-penta...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of human carboxylesterase 1				Bioorg Med Chem 17: 149-64 (2008) Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK
Kyoto University Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM22758 (1-(2,3,4,5,6-pentachlorophenyl)-2-(2,3,4,5,6-penta...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
University of Mississippi					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM22758 (1-(2,3,4,5,6-pentachlorophenyl)-2-(2,3,4,5,6-penta...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
University of Mississippi					More data for this Ligand-Target Pair