Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50512323'   

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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50512323 (CHEMBL4558047) Show SMILES COc1cc(ccc1Nc1nc(O[C@H]2CCOC(C)(C)C2)c2cc[nH]c2n1)C(=O)N(C)C |r| Show InChI InChI=1S/C23H29N5O4/c1-23(2)13-15(9-11-31-23)32-20-16-8-10-24-19(16)26-22(27-20)25-17-7-6-14(12-18(17)30-5)21(29)28(3)4/h6-8,10,12,15H,9,11,13H2,1-5H3,(H2,24,25,26,27)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of Kinase Tracer 236 binding to recombinant human full-length GST-tagged TTk expressed in baculovirus expression system measured after 1 h...				J Med Chem 62: 4401-4410 (2019) Article DOI: 10.1021/acs.jmedchem.8b01869 BindingDB Entry DOI: 10.7270/Q2KS6VVN
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