BDBM50237137 CHEMBL4098125

SMILES: O=C(\C=C\c1cccnc1)c1cc2ccccc2c2ccccc12

InChI Key: InChIKey=JXPWZELWNJXWIG-VAWYXSNFSA-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 = 50237137   

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 1A1 (Homo sapiens (Human))	BDBM50237137 (CHEMBL4098125) Show SMILES O=C(\C=C\c1cccnc1)c1cc2ccccc2c2ccccc12 Show InChI InChI=1S/C22H15NO/c24-22(12-11-16-6-5-13-23-15-16)21-14-17-7-1-2-8-18(17)19-9-3-4-10-20(19)21/h1-15H/b12-11+	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	58	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Inhibition of human liver CYP1A1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by...				Eur J Med Chem 129: 159-174 (2017) Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50237137 (CHEMBL4098125) Show SMILES O=C(\C=C\c1cccnc1)c1cc2ccccc2c2ccccc12 Show InChI InChI=1S/C22H15NO/c24-22(12-11-16-6-5-13-23-15-16)21-14-17-7-1-2-8-18(17)19-9-3-4-10-20(19)21/h1-15H/b12-11+	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	133	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Inhibition of human liver CYP1B1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by...				Eur J Med Chem 129: 159-174 (2017) Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50237137 (CHEMBL4098125) Show SMILES O=C(\C=C\c1cccnc1)c1cc2ccccc2c2ccccc12 Show InChI InChI=1S/C22H15NO/c24-22(12-11-16-6-5-13-23-15-16)21-14-17-7-1-2-8-18(17)19-9-3-4-10-20(19)21/h1-15H/b12-11+	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	669	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Inhibition of human liver CYP1A2 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using CEC as substrate after 10 mins by fluorescence ...				Eur J Med Chem 129: 159-174 (2017) Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4
					More data for this Ligand-Target Pair