BDBM50237295 CHEMBL4081134

SMILES: CC(C)n1cnnc1-c1nc(cs1)C(=O)Nc1cnn(c1)C1COC1

InChI Key: InChIKey=RJBPLHQRRKWEAR-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 = 50237295   

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))	BDBM50237295 (CHEMBL4081134) Show SMILES CC(C)n1cnnc1-c1nc(cs1)C(=O)Nc1cnn(c1)C1COC1 Show InChI InChI=1S/C15H17N7O2S/c1-9(2)21-8-16-20-13(21)15-19-12(7-25-15)14(23)18-10-3-17-22(4-10)11-5-24-6-11/h3-4,7-9,11H,5-6H2,1-2H3,(H,18,23)	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	130	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