Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM190799'   

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))	BDBM190799 (US9670202, Example03.02 N-(cyclopropylmethyl)-1-(2...) Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)N1CCC(CC1)C(=O)NCC1CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C29H37N7O4/c1-2-40-25-17-22(28(38)35-13-15-39-16-14-35)5-7-24(25)31-29-32-26-8-6-23(19-36(26)33-29)34-11-9-21(10-12-34)27(37)30-18-20-3-4-20/h5-8,17,19-21H,2-4,9-16,18H2,1H3,(H,30,37)(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.78E+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
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