BindingDB PrimarySearch

BDBM22726 Benzophenone::CHEMBL90039::diphenylmethanone

SMILES: O=C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=RWCCWEUUXYIKHB-UHFFFAOYSA-N

Data: 5 KI 4 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 22726
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Coagulation factor XII (Homo sapiens (Human))	BDBM22726 (Benzophenone \| CHEMBL90039 \| diphenylmethanone) Show SMILES O=C(c1ccccc1)c1ccccc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+5	>-5.45	n/a	n/a	n/a	n/a	n/a	7.4	25
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))	BDBM22726 (Benzophenone \| CHEMBL90039 \| diphenylmethanone) Show SMILES O=C(c1ccccc1)c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB 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 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
Acetylcholinesterase (Homo sapiens (Human))	BDBM22726 (Benzophenone \| CHEMBL90039 \| diphenylmethanone) Show SMILES O=C(c1ccccc1)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB 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
Androgen receptor (Rattus norvegicus (Rat))	BDBM22726 (Benzophenone \| CHEMBL90039 \| diphenylmethanone) Show SMILES O=C(c1ccccc1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.29E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)				J Med Chem 48: 5666-74 (2005) Article DOI: 10.1021/jm050403f BindingDB Entry DOI: 10.7270/Q2TM7CBZ
University of Basel Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM22726 (Benzophenone \| CHEMBL90039 \| diphenylmethanone) Show SMILES O=C(c1ccccc1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI				J Med Chem 53: 1172-89 (2010) Article DOI: 10.1021/jm9014718 BindingDB Entry DOI: 10.7270/Q2BC40G9
Institute for Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM22726 (Benzophenone \| CHEMBL90039 \| diphenylmethanone) Show SMILES O=C(c1ccccc1)c1ccccc1 Show InChI	PDB MMDB UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	3.47E+6	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of Carica papaya papain by spectrofluorimetry				Eur J Med Chem 44: 1230-9 (2009) Article DOI: 10.1016/j.ejmech.2008.09.018 BindingDB Entry DOI: 10.7270/Q26974HM
Federal University of Alfenas Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM22726 (Benzophenone \| CHEMBL90039 \| diphenylmethanone) Show SMILES O=C(c1ccccc1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.89E+5	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of cathepsin B by spectrofluorimetry				Eur J Med Chem 44: 1230-9 (2009) Article DOI: 10.1016/j.ejmech.2008.09.018 BindingDB Entry DOI: 10.7270/Q26974HM
Federal University of Alfenas Curated by ChEMBL					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM22726 (Benzophenone \| CHEMBL90039 \| diphenylmethanone) Show SMILES O=C(c1ccccc1)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB 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 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
Cholinesterase (Homo sapiens (Human))	BDBM22726 (Benzophenone \| CHEMBL90039 \| diphenylmethanone) Show SMILES O=C(c1ccccc1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB 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