BDBM50269367 CHEMBL2299352

SMILES: Brc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1

InChI Key: InChIKey=YDWXSDVWDOHIBJ-VMPITWQZSA-N

Data: 7 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 7 hits for monomerid = 50269367   

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 3A4 (Homo sapiens (Human))	BDBM50269367 (CHEMBL2299352) Show SMILES Brc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1 Show InChI InChI=1S/C13H10BrNO/c14-11-6-3-10(4-7-11)5-8-13(16)12-2-1-9-15-12/h1-9,15H/b8-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Leicester School of Pharmacy, De Montfort University, Leicester LE1 9BH, UK; CYP Design Limited, Innovation Centre, 49 Oxford Street, Leicester LE1 5XY, UK. Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 bound to yeast microsomal membrane using dibenzylfluorescein as substrate after 10 mins by fluorescence assay				Bioorg Med Chem Lett 27: 3683-3687 (2017) Article DOI: 10.1016/j.bmcl.2017.07.010 BindingDB Entry DOI: 10.7270/Q2B56N85
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50269367 (CHEMBL2299352) Show SMILES Brc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1 Show InChI InChI=1S/C13H10BrNO/c14-11-6-3-10(4-7-11)5-8-13(16)12-2-1-9-15-12/h1-9,15H/b8-5+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Leicester School of Pharmacy, De Montfort University, Leicester LE1 9BH, UK; CYP Design Limited, Innovation Centre, 49 Oxford Street, Leicester LE1 5XY, UK. Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 bound to yeast microsomal membrane using 7-ethoxy-methyloxy-3-cyanocoumarin as substrate after 10 mins by fluorescence ass...				Bioorg Med Chem Lett 27: 3683-3687 (2017) Article DOI: 10.1016/j.bmcl.2017.07.010 BindingDB Entry DOI: 10.7270/Q2B56N85
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50269367 (CHEMBL2299352) Show SMILES Brc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1 Show InChI InChI=1S/C13H10BrNO/c14-11-6-3-10(4-7-11)5-8-13(16)12-2-1-9-15-12/h1-9,15H/b8-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Leicester School of Pharmacy, De Montfort University, Leicester LE1 9BH, UK; CYP Design Limited, Innovation Centre, 49 Oxford Street, Leicester LE1 5XY, UK. Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 bound to yeast microsomal membrane using 3-cyano-7-ethoxycoumarin as substrate after 10 mins by fluorescence assay				Bioorg Med Chem Lett 27: 3683-3687 (2017) Article DOI: 10.1016/j.bmcl.2017.07.010 BindingDB Entry DOI: 10.7270/Q2B56N85
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50269367 (CHEMBL2299352) Show SMILES Brc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1 Show InChI InChI=1S/C13H10BrNO/c14-11-6-3-10(4-7-11)5-8-13(16)12-2-1-9-15-12/h1-9,15H/b8-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leicester School of Pharmacy, De Montfort University, Leicester LE1 9BH, UK; CYP Design Limited, Innovation Centre, 49 Oxford Street, Leicester LE1 5XY, UK. Curated by ChEMBL					Assay Description Inhibition of human CYP1B1 bound to yeast microsomal membrane using 7-ethoxyresorufin as substrate after 10 mins by fluorescence assay				Bioorg Med Chem Lett 27: 3683-3687 (2017) Article DOI: 10.1016/j.bmcl.2017.07.010 BindingDB Entry DOI: 10.7270/Q2B56N85
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50269367 (CHEMBL2299352) Show SMILES Brc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1 Show InChI InChI=1S/C13H10BrNO/c14-11-6-3-10(4-7-11)5-8-13(16)12-2-1-9-15-12/h1-9,15H/b8-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Leicester School of Pharmacy, De Montfort University, Leicester LE1 9BH, UK; CYP Design Limited, Innovation Centre, 49 Oxford Street, Leicester LE1 5XY, UK. Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 bound to yeast microsomal membrane using 3-cyano-7-ethoxycoumarin as substrate after 10 mins by fluorescence assay				Bioorg Med Chem Lett 27: 3683-3687 (2017) Article DOI: 10.1016/j.bmcl.2017.07.010 BindingDB Entry DOI: 10.7270/Q2B56N85
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50269367 (CHEMBL2299352) Show SMILES Brc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1 Show InChI InChI=1S/C13H10BrNO/c14-11-6-3-10(4-7-11)5-8-13(16)12-2-1-9-15-12/h1-9,15H/b8-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Leicester School of Pharmacy, De Montfort University, Leicester LE1 9BH, UK; CYP Design Limited, Innovation Centre, 49 Oxford Street, Leicester LE1 5XY, UK. Curated by ChEMBL					Assay Description Inhibition of human CYP1A1 bound to yeast microsomal membrane using 7-ethoxyresorufin as substrate after 10 mins by fluorescence assay				Bioorg Med Chem Lett 27: 3683-3687 (2017) Article DOI: 10.1016/j.bmcl.2017.07.010 BindingDB Entry DOI: 10.7270/Q2B56N85
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50269367 (CHEMBL2299352) Show SMILES Brc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1 Show InChI InChI=1S/C13H10BrNO/c14-11-6-3-10(4-7-11)5-8-13(16)12-2-1-9-15-12/h1-9,15H/b8-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Leicester School of Pharmacy, De Montfort University, Leicester LE1 9BH, UK; CYP Design Limited, Innovation Centre, 49 Oxford Street, Leicester LE1 5XY, UK. Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 bound to yeast microsomal membrane using 3-cyano-7-ethoxycoumarin as substrate after 10 mins by fluorescence assay				Bioorg Med Chem Lett 27: 3683-3687 (2017) Article DOI: 10.1016/j.bmcl.2017.07.010 BindingDB Entry DOI: 10.7270/Q2B56N85
					More data for this Ligand-Target Pair