Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK [2-857]' AND taxid = 9606   

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 [2-857] (Homo sapiens (Human))	BDBM213742 (8, 3 | US9284298, 3) Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2ccnc(Nc3ccc(cc3OC)N3CCN(C)CC3)n2)n(C)n1 Show InChI InChI=1S/C31H38N8O2/c1-6-21-9-8-10-22(7-2)29(21)35-30(40)26-20-27(38(4)36-26)24-13-14-32-31(33-24)34-25-12-11-23(19-28(25)41-5)39-17-15-37(3)16-18-39/h8-14,19-20H,6-7,15-18H2,1-5H3,(H,35,40)(H,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9284298 (2016) BindingDB Entry DOI: 10.7270/Q21N7ZZ8
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK [2-857] (Homo sapiens (Human))	BDBM213745 (US9284298, 13) Show SMILES CCc1cccc(CC)c1NC(=O)c1cc([nH]n1)-c1ccnc(Nc2ccc(cc2OC)N2CCN(CCO)CC2)n1 Show InChI InChI=1S/C31H38N8O3/c1-4-21-7-6-8-22(5-2)29(21)35-30(41)27-20-26(36-37-27)24-11-12-32-31(33-24)34-25-10-9-23(19-28(25)42-3)39-15-13-38(14-16-39)17-18-40/h6-12,19-20,40H,4-5,13-18H2,1-3H3,(H,35,41)(H,36,37)(H,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9284298 (2016) BindingDB Entry DOI: 10.7270/Q21N7ZZ8
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK [2-857] (Homo sapiens (Human))	BDBM213744 (US9284298, 11) Show SMILES CCc1cccc(CC)c1NC(=O)c1cc([nH]n1)-c1ccnc(Nc2ccc(cc2OC)N2CCN(C)CC2)n1 Show InChI InChI=1S/C30H36N8O2/c1-5-20-8-7-9-21(6-2)28(20)34-29(39)26-19-25(35-36-26)23-12-13-31-30(32-23)33-24-11-10-22(18-27(24)40-4)38-16-14-37(3)15-17-38/h7-13,18-19H,5-6,14-17H2,1-4H3,(H,34,39)(H,35,36)(H,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9284298 (2016) BindingDB Entry DOI: 10.7270/Q21N7ZZ8
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK [2-857] (Homo sapiens (Human))	BDBM213743 (US9284298, 8) Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2ccnc(Nc3ccc(cc3OC)N3CCN(CCO)CC3)n2)n(C)n1 Show InChI InChI=1S/C32H40N8O3/c1-5-22-8-7-9-23(6-2)30(22)36-31(42)27-21-28(38(3)37-27)25-12-13-33-32(34-25)35-26-11-10-24(20-29(26)43-4)40-16-14-39(15-17-40)18-19-41/h7-13,20-21,41H,5-6,14-19H2,1-4H3,(H,36,42)(H,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9284298 (2016) BindingDB Entry DOI: 10.7270/Q21N7ZZ8
					More data for this Ligand-Target Pair