BDBM50209078 CHEMBL3884017

SMILES: CC(=O)N1CCC(CC1)N1C(=O)C(C)(C)c2cnc(Nc3ccc(F)cc3)nc12

InChI Key: InChIKey=ZDHVKDSSSIVZNT-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 = 50209078   

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
Serine/threonine-protein kinase c-TAK1 (Homo sapiens (Human))	BDBM50209078 (CHEMBL3884017) Show SMILES CC(=O)N1CCC(CC1)N1C(=O)C(C)(C)c2cnc(Nc3ccc(F)cc3)nc12 Show InChI InChI=1S/C21H24FN5O2/c1-13(28)26-10-8-16(9-11-26)27-18-17(21(2,3)19(27)29)12-23-20(25-18)24-15-6-4-14(22)5-7-15/h4-7,12,16H,8-11H2,1-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of MARK3 (unknown origin)				Bioorg Med Chem Lett 27: 109-113 (2017) Article DOI: 10.1016/j.bmcl.2016.08.066 BindingDB Entry DOI: 10.7270/Q20867B1
					More data for this Ligand-Target Pair