BDBM50180843 CHEMBL3819226

SMILES: CCOC1(Sc2ccccc2-n2c1noc2=O)c1ccccc1

InChI Key: InChIKey=MSZDDEBDBYXWHC-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50180843   

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))	BDBM50180843 (CHEMBL3819226) Show SMILES CCOC1(Sc2ccccc2-n2c1noc2=O)c1ccccc1 Show InChI InChI=1S/C17H14N2O3S/c1-2-21-17(12-8-4-3-5-9-12)15-18-22-16(20)19(15)13-10-6-7-11-14(13)23-17/h3-11H,2H2,1H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50180843 (CHEMBL3819226) Show SMILES CCOC1(Sc2ccccc2-n2c1noc2=O)c1ccccc1 Show InChI InChI=1S/C17H14N2O3S/c1-2-21-17(12-8-4-3-5-9-12)15-18-22-16(20)19(15)13-10-6-7-11-14(13)23-17/h3-11H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50180843 (CHEMBL3819226) Show SMILES CCOC1(Sc2ccccc2-n2c1noc2=O)c1ccccc1 Show InChI InChI=1S/C17H14N2O3S/c1-2-21-17(12-8-4-3-5-9-12)15-18-22-16(20)19(15)13-10-6-7-11-14(13)23-17/h3-11H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50180843 (CHEMBL3819226) Show SMILES CCOC1(Sc2ccccc2-n2c1noc2=O)c1ccccc1 Show InChI InChI=1S/C17H14N2O3S/c1-2-21-17(12-8-4-3-5-9-12)15-18-22-16(20)19(15)13-10-6-7-11-14(13)23-17/h3-11H,2H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50180843 (CHEMBL3819226) Show SMILES CCOC1(Sc2ccccc2-n2c1noc2=O)c1ccccc1 Show InChI InChI=1S/C17H14N2O3S/c1-2-21-17(12-8-4-3-5-9-12)15-18-22-16(20)19(15)13-10-6-7-11-14(13)23-17/h3-11H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair