Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM329355'   

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))	BDBM329355 ((2R)-2-amino-N-[4-(2-{[4-(azetidin-1-ylcarbonyl)-2...) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](N)c2ccc(F)cc2)cc1)C(=O)N1CCC1 |r| Show InChI InChI=1S/C31H28FN7O3/c1-42-26-17-21(30(41)38-15-2-16-38)7-13-25(26)35-31-36-27-14-8-22(18-39(27)37-31)19-5-11-24(12-6-19)34-29(40)28(33)20-3-9-23(32)10-4-20/h3-14,17-18,28H,2,15-16,33H2,1H3,(H,34,40)(H,35,37)/t28-/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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