BDBM50037713 CHEMBL3358205

SMILES: NCc1cc2ccncc2s1

InChI Key: InChIKey=WFWJXEBBSYBELI-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50037713   

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))	BDBM50037713 (CHEMBL3358205) Show SMILES NCc1cc2ccncc2s1 Show InChI InChI=1S/C8H8N2S/c9-4-7-3-6-1-2-10-5-8(6)11-7/h1-3,5H,4,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay				Bioorg Med Chem 22: 6655-64 (2015) Article DOI: 10.1016/j.bmc.2014.10.001 BindingDB Entry DOI: 10.7270/Q2V40WT8
					More data for this Ligand-Target Pair