BDBM50235215 CHEMBL4062213

SMILES: Fc1ccc(cc1F)-c1cc(=O)c2ccc3ccccc3c2o1

InChI Key: InChIKey=GDJVNCKAHVJNHJ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50235215   

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
Carboxylic ester hydrolase (Sus scrofa)	BDBM50235215 (CHEMBL4062213) Show SMILES Fc1ccc(cc1F)-c1cc(=O)c2ccc3ccccc3c2o1 Show InChI InChI=1S/C19H10F2O2/c20-15-8-6-12(9-16(15)21)18-10-17(22)14-7-5-11-3-1-2-4-13(11)19(14)23-18/h1-10H	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50235215 (CHEMBL4062213) Show SMILES Fc1ccc(cc1F)-c1cc(=O)c2ccc3ccccc3c2o1 Show InChI InChI=1S/C19H10F2O2/c20-15-8-6-12(9-16(15)21)18-10-17(22)14-7-5-11-3-1-2-4-13(11)19(14)23-18/h1-10H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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))	BDBM50235215 (CHEMBL4062213) Show SMILES Fc1ccc(cc1F)-c1cc(=O)c2ccc3ccccc3c2o1 Show InChI InChI=1S/C19H10F2O2/c20-15-8-6-12(9-16(15)21)18-10-17(22)14-7-5-11-3-1-2-4-13(11)19(14)23-18/h1-10H	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 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))	BDBM50235215 (CHEMBL4062213) Show SMILES Fc1ccc(cc1F)-c1cc(=O)c2ccc3ccccc3c2o1 Show InChI InChI=1S/C19H10F2O2/c20-15-8-6-12(9-16(15)21)18-10-17(22)14-7-5-11-3-1-2-4-13(11)19(14)23-18/h1-10H	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	5.60	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