Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'TRAF2 and NCK-interacting protein kinase' and Ligand = 'BDBM210300'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM210300 (US9546153, ex. 367) Show SMILES CC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C20H25F2N7O2/c1-11(2)26-14-7-16(27-18-13(21)10-29-17(28-18)5-6-25-29)23-8-12(14)19(30)24-9-15(22)20(3,4)31/h5-8,10-11,15,31H,9H2,1-4H3,(H,24,30)(H2,23,26,27,28)/t15-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol Myers Squibb Research Center Curated by ChEMBL					Assay Description Inhibition of human wild type partial length TNIK (D4-K311 residues) expressed in bacterial expression system				ACS Med Chem Lett 11: 1402-1409 (2020) Article DOI: 10.1021/acsmedchemlett.0c00082 BindingDB Entry DOI: 10.7270/Q2542S4M
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