Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM190359'   

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))	BDBM190359 (US9670202, Example01.04 4-(2-{[2-ethoxy-4-(morphol...) Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)N1CCN(CC1)C(=O)NCc1ccc(F)cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C31H35FN8O4/c1-2-44-27-19-23(29(41)38-15-17-43-18-16-38)5-9-26(27)34-30-35-28-10-8-25(21-40(28)36-30)37-11-13-39(14-12-37)31(42)33-20-22-3-6-24(32)7-4-22/h3-10,19,21H,2,11-18,20H2,1H3,(H,33,42)(H,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	7.7	n/a
BAYER PHARMA AKTIENGESELLSCHAFT 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 US9670202 (2017) BindingDB Entry DOI: 10.7270/Q24Q7S5H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM190359 (US9670202, Example01.04 4-(2-{[2-ethoxy-4-(morphol...) Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)N1CCN(CC1)C(=O)NCc1ccc(F)cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C31H35FN8O4/c1-2-44-27-19-23(29(41)38-15-17-43-18-16-38)5-9-26(27)34-30-35-28-10-8-25(21-40(28)36-30)37-11-13-39(14-12-37)31(42)33-20-22-3-6-24(32)7-4-22/h3-10,19,21H,2,11-18,20H2,1H3,(H,33,42)(H,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.22E+4	n/a	n/a	n/a	n/a	7.7	n/a
BAYER PHARMA AKTIENGESELLSCHAFT 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 US9670202 (2017) BindingDB Entry DOI: 10.7270/Q24Q7S5H
					More data for this Ligand-Target Pair