BDBM50237293 CHEMBL4093878

SMILES: COCCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1

InChI Key: InChIKey=PIANLIIIHXAQJU-UHFFFAOYSA-N

Data: 1 EC50

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 = 50237293   

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 5 (Homo sapiens (Human))	BDBM50237293 (CHEMBL4093878) Show SMILES COCCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1 Show InChI InChI=1S/C16H21N7O2S/c1-11(2)23-10-17-21-14(23)16-20-13(9-26-16)15(24)19-12-7-18-22(8-12)5-4-6-25-3/h7-11H,4-6H2,1-3H3,(H,19,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	65	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of ASK1 (unknown origin) assessed as reduction in JNK phosphorylation by cell based assay				Bioorg Med Chem Lett 27: 1709-1713 (2017) Article DOI: 10.1016/j.bmcl.2017.02.079 BindingDB Entry DOI: 10.7270/Q2J38VV6
					More data for this Ligand-Target Pair