BDBM50519905 CHEMBL4457289

SMILES: COc1cc(cc(OC)c1OC)-c1cc(=O)c2ccc3ccccc3c2o1

InChI Key: InChIKey=ZTEFMPWLDDKYMW-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50519905   

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
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50519905 (CHEMBL4457289) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(=O)c2ccc3ccccc3c2o1 Show InChI InChI=1S/C22H18O5/c1-24-19-10-14(11-20(25-2)22(19)26-3)18-12-17(23)16-9-8-13-6-4-5-7-15(13)21(16)27-18/h4-12H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	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
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50519905 (CHEMBL4457289) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(=O)c2ccc3ccccc3c2o1 Show InChI InChI=1S/C22H18O5/c1-24-19-10-14(11-20(25-2)22(19)26-3)18-12-17(23)16-9-8-13-6-4-5-7-15(13)21(16)27-18/h4-12H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	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
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50519905 (CHEMBL4457289) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(=O)c2ccc3ccccc3c2o1 Show InChI InChI=1S/C22H18O5/c1-24-19-10-14(11-20(25-2)22(19)26-3)18-12-17(23)16-9-8-13-6-4-5-7-15(13)21(16)27-18/h4-12H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	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
					More data for this Ligand-Target Pair