BDBM50499777 CHEMBL3740883

SMILES: O=Cc1cn(nc1-c1ccccc1)-c1nc(cs1)-c1cc2c(ccc3ccccc23)oc1=O

InChI Key: InChIKey=KFSIRGRDADUFSL-UHFFFAOYSA-N

Data: 1 KI

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 = 50499777   

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))	BDBM50499777 (CHEMBL3740883) Show SMILES O=Cc1cn(nc1-c1ccccc1)-c1nc(cs1)-c1cc2c(ccc3ccccc23)oc1=O Show InChI InChI=1S/C26H15N3O3S/c30-14-18-13-29(28-24(18)17-7-2-1-3-8-17)26-27-22(15-33-26)21-12-20-19-9-5-4-6-16(19)10-11-23(20)32-25(21)31/h1-15H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2A6				Bioorg Med Chem Lett 25: 5797-803 (2015) Article DOI: 10.1016/j.bmcl.2015.10.042 BindingDB Entry DOI: 10.7270/Q2J67KXF
					More data for this Ligand-Target Pair