BDBM50237289 CHEMBL4086119

SMILES: COCCNc1ccnc(NC(=O)c2csc(n2)-c2nncn2C(C)C)c1

InChI Key: InChIKey=OPCYURAZSZUASX-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 = 50237289   

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))	BDBM50237289 (CHEMBL4086119) Show SMILES COCCNc1ccnc(NC(=O)c2csc(n2)-c2nncn2C(C)C)c1 Show InChI InChI=1S/C17H21N7O2S/c1-11(2)24-10-20-23-15(24)17-21-13(9-27-17)16(25)22-14-8-12(4-5-19-14)18-6-7-26-3/h4-5,8-11H,6-7H2,1-3H3,(H2,18,19,22,25)	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	99	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