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SMILES: OCc1ccc(s1)-c1cccnc1

InChI Key: InChIKey=XBSQDYZSJJZBOS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50158933   

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 2A6 (Homo sapiens (Human))	BDBM50158933 ((5-Pyridin-3-yl-thiophen-2-yl)-methanol | CHEMBL18...) Show SMILES OCc1ccc(s1)-c1cccnc1 Show InChI InChI=1S/C10H9NOS/c12-7-9-3-4-10(13-9)8-2-1-5-11-6-8/h1-6,12H,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50158933 ((5-Pyridin-3-yl-thiophen-2-yl)-methanol | CHEMBL18...) Show SMILES OCc1ccc(s1)-c1cccnc1 Show InChI InChI=1S/C10H9NOS/c12-7-9-3-4-10(13-9)8-2-1-5-11-6-8/h1-6,12H,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute US Patent					Assay Description The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...				US Patent US8609708 (2013) BindingDB Entry DOI: 10.7270/Q2PN9481
					More data for this Ligand-Target Pair