BDBM50208935 CHEMBL3883539

SMILES: CCN1C(=O)C(C)(C)c2cnc(Nc3ccccc3)nc12

InChI Key: InChIKey=GPKQTDNLUOWUMN-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 = 50208935   

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))	BDBM50208935 (CHEMBL3883539) Show SMILES CCN1C(=O)C(C)(C)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C16H18N4O/c1-4-20-13-12(16(2,3)14(20)21)10-17-15(19-13)18-11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay				Bioorg Med Chem Lett 27: 114-120 (2017) Article DOI: 10.1016/j.bmcl.2016.08.068 BindingDB Entry DOI: 10.7270/Q2N018JC
					More data for this Ligand-Target Pair