BDBM50209096 CHEMBL3885080

SMILES: CC[C@H](C)N1C(=O)C2(CC2)c2cnc(Nc3cccnc3)nc12

InChI Key: InChIKey=UGOCOZWRKDINEH-NSHDSACASA-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 = 50209096   

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))	BDBM50209096 (CHEMBL3885080) Show SMILES CC[C@H](C)N1C(=O)C2(CC2)c2cnc(Nc3cccnc3)nc12 |r| Show InChI InChI=1S/C17H19N5O/c1-3-11(2)22-14-13(17(6-7-17)15(22)23)10-19-16(21-14)20-12-5-4-8-18-9-12/h4-5,8-11H,3,6-7H2,1-2H3,(H,19,20,21)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	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