BDBM50208913 CHEMBL3883997

SMILES: Cn1cc(cn1)N1C(=O)C(C)(C)c2cnc(Nc3ccccc3)nc12

InChI Key: InChIKey=RLLWUKYZBGOFRP-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 = 50208913   

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))	BDBM50208913 (CHEMBL3883997) Show SMILES Cn1cc(cn1)N1C(=O)C(C)(C)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C18H18N6O/c1-18(2)14-10-19-17(21-12-7-5-4-6-8-12)22-15(14)24(16(18)25)13-9-20-23(3)11-13/h4-11H,1-3H3,(H,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+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