BDBM50187106 CHEMBL3823992

SMILES: CC(F)Oc1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)N1CCN(C)CC1

InChI Key: InChIKey=OKCLKDWPPBNWMD-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 = 50187106   

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))	BDBM50187106 (CHEMBL3823992) Show SMILES CC(F)Oc1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C21H22FN5O4S/c1-12(22)31-16-9-13(21(30)27-7-5-26(2)6-8-27)3-4-15(16)25-19(28)14-10-32-18-17(14)23-11-24-20(18)29/h3-4,9-12H,5-8H2,1-2H3,(H,25,28)(H,23,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	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