Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM236676'   

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))	BDBM236676 (US9388140, 17) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(F)c(F)c3)cc12 Show InChI InChI=1S/C30H30F2N4O3/c1-18-12-21(4-6-24(18)30(37)35-20-2-3-20)36-17-34-29-27(33-16-19-8-10-38-11-9-19)14-23(15-28(29)36)39-22-5-7-25(31)26(32)13-22/h4-7,12-15,17,19-20,33H,2-3,8-11,16H2,1H3,(H,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.7	22
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 US9388140 (2016) BindingDB Entry DOI: 10.7270/Q2BP01QF
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