Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'TRAF2 and NCK-interacting protein kinase' and Ligand = 'BDBM50535489'   

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))	BDBM50535489 (CHEMBL4471729) Show SMILES Nc1ncc(Br)c2ccc(nc12)-c1ccnc(F)c1 Show InChI InChI=1S/C13H8BrFN4/c14-9-6-18-13(16)12-8(9)1-2-10(19-12)7-3-4-17-11(15)5-7/h1-6H,(H2,16,18)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human full length TNIK(1-1360)-G5-Avi-6His-Flag expressed in baculovirus-infected sf21 cells using His6-SMAD1 as substrate preincubated...				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
					More data for this Ligand-Target Pair				3D Structure (crystal)
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM50535489 (CHEMBL4471729) Show SMILES Nc1ncc(Br)c2ccc(nc12)-c1ccnc(F)c1 Show InChI InChI=1S/C13H8BrFN4/c14-9-6-18-13(16)12-8(9)1-2-10(19-12)7-3-4-17-11(15)5-7/h1-6H,(H2,16,18)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human 6His-TEV-TNIK(1 to 325) expressed in baculovirus-infected sf21 cells using LRRKtide as substrate preincubated for 30 mins followe...				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
					More data for this Ligand-Target Pair				3D Structure (crystal)
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM50535489 (CHEMBL4471729) Show SMILES Nc1ncc(Br)c2ccc(nc12)-c1ccnc(F)c1 Show InChI InChI=1S/C13H8BrFN4/c14-9-6-18-13(16)12-8(9)1-2-10(19-12)7-3-4-17-11(15)5-7/h1-6H,(H2,16,18)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human full length TNIK in HEK293 cells co-transfected with full length SMAD1 incubated for 2 hrs by ELISA				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
					More data for this Ligand-Target Pair				3D Structure (crystal)
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM50535489 (CHEMBL4471729) Show SMILES Nc1ncc(Br)c2ccc(nc12)-c1ccnc(F)c1 Show InChI InChI=1S/C13H8BrFN4/c14-9-6-18-13(16)12-8(9)1-2-10(19-12)7-3-4-17-11(15)5-7/h1-6H,(H2,16,18)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human full length TNIK in HEK293 cells co-transfected with full length SMAD1 incubated for 2 hrs by ELISA				Bioorg Med Chem Lett 29: 1962-1967 (2019) Article DOI: 10.1016/j.bmcl.2019.05.032 BindingDB Entry DOI: 10.7270/Q2PZ5DBT
					More data for this Ligand-Target Pair				3D Structure (crystal)