Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 290.2 BDBM50159609

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50159609 (2-(4-Fluoro-phenyl)-benzo[h]chromen-4-one | CHEMBL...) Show SMILES Fc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1 Show InChI InChI=1S/C19H11FO2/c20-14-8-5-13(6-9-14)18-11-17(21)16-10-7-12-3-1-2-4-15(12)19(16)22-18/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1B1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111938 BindingDB Entry DOI: 10.7270/Q2SX6HMM
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50159609 (2-(4-Fluoro-phenyl)-benzo[h]chromen-4-one | CHEMBL...) Show SMILES Fc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1 Show InChI InChI=1S/C19H11FO2/c20-14-8-5-13(6-9-14)18-11-17(21)16-10-7-12-3-1-2-4-15(12)19(16)22-18/h1-11H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111938 BindingDB Entry DOI: 10.7270/Q2SX6HMM
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50159609 (2-(4-Fluoro-phenyl)-benzo[h]chromen-4-one | CHEMBL...) Show SMILES Fc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1 Show InChI InChI=1S/C19H11FO2/c20-14-8-5-13(6-9-14)18-11-17(21)16-10-7-12-3-1-2-4-15(12)19(16)22-18/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111938 BindingDB Entry DOI: 10.7270/Q2SX6HMM
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Sus scrofa)	BDBM50159609 (2-(4-Fluoro-phenyl)-benzo[h]chromen-4-one | CHEMBL...) Show SMILES Fc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1 Show InChI InChI=1S/C19H11FO2/c20-14-8-5-13(6-9-14)18-11-17(21)16-10-7-12-3-1-2-4-15(12)19(16)22-18/h1-11H	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...				Bioorg Med Chem Lett 27: 850-854 (2017) Article DOI: 10.1016/j.bmcl.2017.01.020 BindingDB Entry DOI: 10.7270/Q2PC34PC
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50159609 (2-(4-Fluoro-phenyl)-benzo[h]chromen-4-one | CHEMBL...) Show SMILES Fc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1 Show InChI InChI=1S/C19H11FO2/c20-14-8-5-13(6-9-14)18-11-17(21)16-10-7-12-3-1-2-4-15(12)19(16)22-18/h1-11H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description Inhibition of DNA dependent protein kinase isolated from HeLa cells				J Med Chem 48: 569-85 (2005) Article DOI: 10.1021/jm049526a BindingDB Entry DOI: 10.7270/Q2BK1BV9
					More data for this Ligand-Target Pair