BDBM50209094 CHEMBL3885321

SMILES: C[C@@H](N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1ccc(F)cc1

InChI Key: InChIKey=KWJOTUQSCIOUKF-CYBMUJFWSA-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 = 50209094   

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))	BDBM50209094 (CHEMBL3885321) Show SMILES C[C@@H](N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H20FN5O/c1-13(14-6-8-15(22)9-7-14)27-18-17(21(2,3)19(27)28)12-24-20(26-18)25-16-5-4-10-23-11-16/h4-13H,1-3H3,(H,24,25,26)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+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