null

SMILES: O=C(\C=C\c1cccnc1)c1ccc2ccc3ccccc3c2c1

InChI Key: InChIKey=GONLWTWOUQDZRN-KPKJPENVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50236948   

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))	BDBM50236948 (CHEMBL4080095) Show SMILES O=C(\C=C\c1cccnc1)c1ccc2ccc3ccccc3c2c1 Show InChI InChI=1S/C22H15NO/c24-22(12-7-16-4-3-13-23-15-16)19-11-10-18-9-8-17-5-1-2-6-20(17)21(18)14-19/h1-15H/b12-7+	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	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Inhibition of human liver CYP3A4 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using DBF 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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50236948 (CHEMBL4080095) Show SMILES O=C(\C=C\c1cccnc1)c1ccc2ccc3ccccc3c2c1 Show InChI InChI=1S/C22H15NO/c24-22(12-7-16-4-3-13-23-15-16)19-11-10-18-9-8-17-5-1-2-6-20(17)21(18)14-19/h1-15H/b12-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Inhibition of human liver CYP2D6 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using EOMCC as substrate after 10 mins by fluorescenc...				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 2C19 (Homo sapiens (Human))	BDBM50236948 (CHEMBL4080095) Show SMILES O=C(\C=C\c1cccnc1)c1ccc2ccc3ccccc3c2c1 Show InChI InChI=1S/C22H15NO/c24-22(12-7-16-4-3-13-23-15-16)19-11-10-18-9-8-17-5-1-2-6-20(17)21(18)14-19/h1-15H/b12-7+	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Inhibition of human liver CYP2C19 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using DBF 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
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50236948 (CHEMBL4080095) Show SMILES O=C(\C=C\c1cccnc1)c1ccc2ccc3ccccc3c2c1 Show InChI InChI=1S/C22H15NO/c24-22(12-7-16-4-3-13-23-15-16)19-11-10-18-9-8-17-5-1-2-6-20(17)21(18)14-19/h1-15H/b12-7+	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	122	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 2C9 (Homo sapiens (Human))	BDBM50236948 (CHEMBL4080095) Show SMILES O=C(\C=C\c1cccnc1)c1ccc2ccc3ccccc3c2c1 Show InChI InChI=1S/C22H15NO/c24-22(12-7-16-4-3-13-23-15-16)19-11-10-18-9-8-17-5-1-2-6-20(17)21(18)14-19/h1-15H/b12-7+	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Inhibition of human liver CYP2C9 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using DBF 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
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50236948 (CHEMBL4080095) Show SMILES O=C(\C=C\c1cccnc1)c1ccc2ccc3ccccc3c2c1 Show InChI InChI=1S/C22H15NO/c24-22(12-7-16-4-3-13-23-15-16)19-11-10-18-9-8-17-5-1-2-6-20(17)21(18)14-19/h1-15H/b12-7+	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	48	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Inhibitory concentration against progesterone stimulated alkaline phosphatase activity in T47D human breast carcinoma cell line				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))	BDBM50236948 (CHEMBL4080095) Show SMILES O=C(\C=C\c1cccnc1)c1ccc2ccc3ccccc3c2c1 Show InChI InChI=1S/C22H15NO/c24-22(12-7-16-4-3-13-23-15-16)19-11-10-18-9-8-17-5-1-2-6-20(17)21(18)14-19/h1-15H/b12-7+	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	1.00E+3	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