BindingDB PrimarySearch

BDBM50028963 3-Phenyl-1H-naphtho[2,1-b]pyran-1-one::3-Phenyl-benzo[f]chromen-1-one::3-phenyl-1H-benzo[f]chromen-1-one::CHEMBL26260::beta -naphthoflavone::beta-naphthoflavone

SMILES: O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1

InChI Key: InChIKey=OUGIDAPQYNCXRA-UHFFFAOYSA-N

Data: 1 KI 6 IC50 3 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50028963
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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50028963 (3-Phenyl-1H-naphtho[2,1-b]pyran-1-one \| 3-Phenyl-b...) Show SMILES O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of specific [3H]-PIA binding from adenosine A1 receptor in rat brain membranes.				J Med Chem 39: 781-8 (1996) Article DOI: 10.1021/jm950661k BindingDB Entry DOI: 10.7270/Q2M32TV4
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50028963 (3-Phenyl-1H-naphtho[2,1-b]pyran-1-one \| 3-Phenyl-b...) Show SMILES O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Agonist activity at aryl hydrocarbon receptor in human MCF7 cells after 24 hrs CYP1A1-dependent EROD assay				Bioorg Med Chem 18: 1194-203 (2010) Article DOI: 10.1016/j.bmc.2009.12.036 BindingDB Entry DOI: 10.7270/Q2GX4BNF
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50028963 (3-Phenyl-1H-naphtho[2,1-b]pyran-1-one \| 3-Phenyl-b...) Show SMILES O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Agonist activity at AhR in human MCF-7 cells assessed as increase of CYP1A1-dependent 7-ethoxyresorufin O-deethylase activity				J Med Chem 54: 1539-54 (2011) Article DOI: 10.1021/jm101356p BindingDB Entry DOI: 10.7270/Q27S7P30
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50028963 (3-Phenyl-1H-naphtho[2,1-b]pyran-1-one \| 3-Phenyl-b...) Show SMILES O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.40	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Agonist activity at AhR (unknown origin)				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111842
University of Perugia Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50028963 (3-Phenyl-1H-naphtho[2,1-b]pyran-1-one \| 3-Phenyl-b...) Show SMILES O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human BCRP expressed in MDCK2 cells assessed as accumulation of pheophorbide-A preincubated for 30 mins before pheophorbide-A addition ...				Eur J Med Chem 67: 115-26 (2013) Article DOI: 10.1016/j.ejmech.2013.06.035 BindingDB Entry DOI: 10.7270/Q2W66N6K
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50028963 (3-Phenyl-1H-naphtho[2,1-b]pyran-1-one \| 3-Phenyl-b...) Show SMILES O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of CYP2B1 (unknown origin)-mediated depentylation of resorufin pentyl ether after 5 mins by spectrofluorimetric analysis				J Med Chem 56: 4082-92 (2013) Article DOI: 10.1021/jm4003654 BindingDB Entry DOI: 10.7270/Q2CN758W
Xavier University of Louisiana Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50028963 (3-Phenyl-1H-naphtho[2,1-b]pyran-1-one \| 3-Phenyl-b...) Show SMILES O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)-mediated demethylation of resorufin methyl ether after 5 mins by spectrofluorimetric analysis				J Med Chem 56: 4082-92 (2013) Article DOI: 10.1021/jm4003654 BindingDB Entry DOI: 10.7270/Q2CN758W
Xavier University of Louisiana Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50028963 (3-Phenyl-1H-naphtho[2,1-b]pyran-1-one \| 3-Phenyl-b...) Show SMILES O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of CYP1A1 (unknown origin)-mediated deethylation of resorufin ethyl ether after 5 mins by spectrofluorimetric analysis				J Med Chem 56: 4082-92 (2013) Article DOI: 10.1021/jm4003654 BindingDB Entry DOI: 10.7270/Q2CN758W
Xavier University of Louisiana Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50028963 (3-Phenyl-1H-naphtho[2,1-b]pyran-1-one \| 3-Phenyl-b...) Show SMILES O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of CYP2A6 (unknown origin)-mediated coumarin 7-hydroxylation after 5 mins by spectrofluorimetric analysis				J Med Chem 56: 4082-92 (2013) Article DOI: 10.1021/jm4003654 BindingDB Entry DOI: 10.7270/Q2CN758W
Xavier University of Louisiana Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50028963 (3-Phenyl-1H-naphtho[2,1-b]pyran-1-one \| 3-Phenyl-b...) Show SMILES O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human BCRP expressed in MDCK2 cells assessed as accumulation of Hoechst 33342 preincubated for 30 mins before Hoechst 33342 addition me...				Eur J Med Chem 67: 115-26 (2013) Article DOI: 10.1016/j.ejmech.2013.06.035 BindingDB Entry DOI: 10.7270/Q2W66N6K
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair