Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM329350'   

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))	BDBM329350 ((2S)-2-(4-fluorophenyl)-3-hydroxy-N-[4-(2-{[2-meth...) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](CO)c2ccc(F)cc2)cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C29H26FN5O5S/c1-40-26-15-23(41(2,38)39)12-13-25(26)32-29-33-27-14-7-20(16-35(27)34-29)18-5-10-22(11-6-18)31-28(37)24(17-36)19-3-8-21(30)9-4-19/h3-16,24,36H,17H2,1-2H3,(H,31,37)(H,32,34)/t24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9663510 (2017) BindingDB Entry DOI: 10.7270/Q2DV1N06
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