BDBM50438334 CHEMBL2408726

SMILES: Cc1ncc(s1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12

InChI Key: InChIKey=FJPOGNAHCZFDQR-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 = 50438334   

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
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1 (Homo sapiens (Human))	BDBM50438334 (CHEMBL2408726) Show SMILES Cc1ncc(s1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12 Show InChI InChI=1S/C18H12N4OS2/c1-9-21-7-16(25-9)12-5-22-18(19)17-11(12)4-14(23-17)13-8-24-15-6-20-3-2-10(13)15/h2-8H,1H3,(H2,19,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP				Bioorg Med Chem Lett 23: 4511-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.054 BindingDB Entry DOI: 10.7270/Q2FN17MJ
					More data for this Ligand-Target Pair