BDBM50187070 CHEMBL3824212

SMILES: COc1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)N1CCN(C)CC1

InChI Key: InChIKey=FSWKGEBKYBJQAA-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 = 50187070   

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 (Homo sapiens (Human))	BDBM50187070 (CHEMBL3824212) Show SMILES COc1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C20H21N5O4S/c1-24-5-7-25(8-6-24)20(28)12-3-4-14(15(9-12)29-2)23-18(26)13-10-30-17-16(13)21-11-22-19(17)27/h3-4,9-11H,5-8H2,1-2H3,(H,23,26)(H,21,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co,. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...				Bioorg Med Chem 24: 4206-4217 (2016) BindingDB Entry DOI: 10.7270/Q2JM2CKQ
					More data for this Ligand-Target Pair