Compile Data Set for Download or QSAR

Found 102 hits Enz. Inhib. hit(s) with all data for entry = 219   

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))	BDBM228350 (US9555022, Example 04.18) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)N1CCN(C)CC1 Show InChI InChI=1S/C32H32FN7O2/c1-38-15-17-39(18-16-38)27-12-13-28(29(19-27)42-2)35-32-36-30-14-9-25(21-40(30)37-32)23-5-7-24(8-6-23)31(41)34-20-22-3-10-26(33)11-4-22/h3-14,19,21H,15-18,20H2,1-2H3,(H,34,41)(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	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228351 (US9555022, Example 04.19) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)N1CCN(CC1)C(C)(C)C Show InChI InChI=1S/C35H38FN7O2/c1-35(2,3)42-19-17-41(18-20-42)29-14-15-30(31(21-29)45-4)38-34-39-32-16-11-27(23-43(32)40-34)25-7-9-26(10-8-25)33(44)37-22-24-5-12-28(36)13-6-24/h5-16,21,23H,17-20,22H2,1-4H3,(H,37,44)(H,38,40)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228352 (US9555022, Example 04.20) Show SMILES Fc1ccc(CNC(=O)c2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4F)C(=O)N4CC5(COC5)C4)nn3c2)cc1 Show InChI InChI=1S/C32H26F2N6O3/c33-25-9-1-20(2-10-25)14-35-29(41)22-5-3-21(4-6-22)24-8-12-28-37-31(38-40(28)15-24)36-27-11-7-23(13-26(27)34)30(42)39-16-32(17-39)18-43-19-32/h1-13,15H,14,16-19H2,(H,35,41)(H,36,38)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228353 (US9555022, Example 04.21) Show SMILES Fc1ccc(CNC(=O)c2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4F)C(=O)N4CCOCC4)nn3c2)cc1 Show InChI InChI=1S/C31H26F2N6O3/c32-25-9-1-20(2-10-25)18-34-29(40)22-5-3-21(4-6-22)24-8-12-28-36-31(37-39(28)19-24)35-27-11-7-23(17-26(27)33)30(41)38-13-15-42-16-14-38/h1-12,17,19H,13-16,18H2,(H,34,40)(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	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228354 (US9555022, Example 04.22) Show SMILES FC(F)COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C33H29F3N6O4/c34-26-9-1-21(2-10-26)18-37-31(43)23-5-3-22(4-6-23)25-8-12-30-39-33(40-42(30)19-25)38-27-11-7-24(17-28(27)46-20-29(35)36)32(44)41-13-15-45-16-14-41/h1-12,17,19,29H,13-16,18,20H2,(H,37,43)(H,38,40)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228356 (US9555022, Example 04.23) Show SMILES Fc1ccc(CNC(=O)c2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4C(F)(F)F)C(=O)N4CCOCC4)nn3c2)cc1 Show InChI InChI=1S/C32H26F4N6O3/c33-25-9-1-20(2-10-25)18-37-29(43)22-5-3-21(4-6-22)24-8-12-28-39-31(40-42(28)19-24)38-27-11-7-23(17-26(27)32(34,35)36)30(44)41-13-15-45-16-14-41/h1-12,17,19H,13-16,18H2,(H,37,43)(H,38,40)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228357 (US9555022, Example 04.24) Show SMILES COc1cc(CN2CCN(C)CC2)ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C33H34FN7O2/c1-39-15-17-40(18-16-39)21-24-5-13-29(30(19-24)43-2)36-33-37-31-14-10-27(22-41(31)38-33)25-6-8-26(9-7-25)32(42)35-20-23-3-11-28(34)12-4-23/h3-14,19,22H,15-18,20-21H2,1-2H3,(H,35,42)(H,36,38)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228358 (US9555022, Example 04.25) Show SMILES COc1cc(CN2CCOCC2)ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C32H31FN6O3/c1-41-29-18-23(20-38-14-16-42-17-15-38)4-12-28(29)35-32-36-30-13-9-26(21-39(30)37-32)24-5-7-25(8-6-24)31(40)34-19-22-2-10-27(33)11-3-22/h2-13,18,21H,14-17,19-20H2,1H3,(H,34,40)(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	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228359 (US9555022, Example 04.26) Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C33H33FN6O3/c1-39-17-15-27(16-18-39)43-28-12-13-29(30(19-28)42-2)36-33-37-31-14-9-25(21-40(31)38-33)23-5-7-24(8-6-23)32(41)35-20-22-3-10-26(34)11-4-22/h3-14,19,21,27H,15-18,20H2,1-2H3,(H,35,41)(H,36,38)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228360 (US9555022, Example 04.27) Show SMILES CSc1cc(OC2CCN(C)CC2)ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C33H33FN6O2S/c1-39-17-15-27(16-18-39)42-28-12-13-29(30(19-28)43-2)36-33-37-31-14-9-25(21-40(31)38-33)23-5-7-24(8-6-23)32(41)35-20-22-3-10-26(34)11-4-22/h3-14,19,21,27H,15-18,20H2,1-2H3,(H,35,41)(H,36,38)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228363 (US9555022, Example 04.29) Show SMILES Cc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C32H29FN6O3/c1-21-18-25(31(41)38-14-16-42-17-15-38)8-12-28(21)35-32-36-29-13-9-26(20-39(29)37-32)23-4-6-24(7-5-23)30(40)34-19-22-2-10-27(33)11-3-22/h2-13,18,20H,14-17,19H2,1H3,(H,34,40)(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	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228365 (US9555022, Example 04.30) Show SMILES Fc1ccc(CNC(=O)c2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4OC(F)(F)F)C(=O)N4CC5(COC5)C4)nn3c2)cc1 Show InChI InChI=1S/C33H26F4N6O4/c34-25-9-1-20(2-10-25)14-38-29(44)22-5-3-21(4-6-22)24-8-12-28-40-31(41-43(28)15-24)39-26-11-7-23(13-27(26)47-33(35,36)37)30(45)42-16-32(17-42)18-46-19-32/h1-13,15H,14,16-19H2,(H,38,44)(H,39,41)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228366 (US9555022, Example 04.31) Show SMILES Fc1ccc(CNC(=O)c2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4OC(F)(F)F)C(=O)N4CCOCC4)nn3c2)cc1 Show InChI InChI=1S/C32H26F4N6O4/c33-25-9-1-20(2-10-25)18-37-29(43)22-5-3-21(4-6-22)24-8-12-28-39-31(40-42(28)19-24)38-26-11-7-23(17-27(26)46-32(34,35)36)30(44)41-13-15-45-16-14-41/h1-12,17,19H,13-16,18H2,(H,37,43)(H,38,40)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228367 (US9555022, Example 04.32) Show SMILES COc1ccc(cc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C32H29FN6O4/c1-42-28-12-8-24(31(41)38-14-16-43-17-15-38)18-27(28)35-32-36-29-13-9-25(20-39(29)37-32)22-4-6-23(7-5-22)30(40)34-19-21-2-10-26(33)11-3-21/h2-13,18,20H,14-17,19H2,1H3,(H,34,40)(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	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228368 (US9555022, Example 04.33) Show SMILES Cc1nc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)N1CCOCC1 Show InChI InChI=1S/C30H28FN7O2/c1-20-26(11-13-27(33-20)37-14-16-40-17-15-37)34-30-35-28-12-8-24(19-38(28)36-30)22-4-6-23(7-5-22)29(39)32-18-21-2-9-25(31)10-3-21/h2-13,19H,14-18H2,1H3,(H,32,39)(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	<1	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228369 (US9555022, Example 04.34) Show SMILES Cc1nc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)N1CCCC1 Show InChI InChI=1S/C30H28FN7O/c1-20-26(13-15-27(33-20)37-16-2-3-17-37)34-30-35-28-14-10-24(19-38(28)36-30)22-6-8-23(9-7-22)29(39)32-18-21-4-11-25(31)12-5-21/h4-15,19H,2-3,16-18H2,1H3,(H,32,39)(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	<1	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228371 (US9555022, Example 05.01) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(Cl)cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C32H29ClN6O4/c1-42-28-18-24(31(41)38-14-16-43-17-15-38)8-12-27(28)35-32-36-29-13-9-25(20-39(29)37-32)22-4-6-23(7-5-22)30(40)34-19-21-2-10-26(33)11-3-21/h2-13,18,20H,14-17,19H2,1H3,(H,34,40)(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	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228372 (US9555022, Example 05.02) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(C)cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C33H32N6O4/c1-22-3-5-23(6-4-22)20-34-31(40)25-9-7-24(8-10-25)27-12-14-30-36-33(37-39(30)21-27)35-28-13-11-26(19-29(28)42-2)32(41)38-15-17-43-18-16-38/h3-14,19,21H,15-18,20H2,1-2H3,(H,34,40)(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	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228373 (US9555022, Example 06.01) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(C(=O)NCc2ccc(F)cc2)c(F)c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C32H28F2N6O4/c1-43-28-17-22(31(42)39-12-14-44-15-13-39)5-10-27(28)36-32-37-29-11-6-23(19-40(29)38-32)21-4-9-25(26(34)16-21)30(41)35-18-20-2-7-24(33)8-3-20/h2-11,16-17,19H,12-15,18H2,1H3,(H,35,41)(H,36,38)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228377 (US9555022, Example 06.02) Show SMILES COc1cc(CN2CCOCC2)ccc1Nc1nc2ccc(cn2n1)-c1ccc(C(=O)NCc2ccc(F)cc2)c(F)c1 Show InChI InChI=1S/C32H30F2N6O3/c1-42-29-16-22(19-39-12-14-43-15-13-39)4-10-28(29)36-32-37-30-11-6-24(20-40(30)38-32)23-5-9-26(27(34)17-23)31(41)35-18-21-2-7-25(33)8-3-21/h2-11,16-17,20H,12-15,18-19H2,1H3,(H,35,41)(H,36,38)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228378 (US9555022, Example 07.01) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(C(=O)NCc2ccc(F)cc2)c(C)c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C33H31FN6O4/c1-21-17-23(5-10-27(21)31(41)35-19-22-3-8-26(34)9-4-22)25-7-12-30-37-33(38-40(30)20-25)36-28-11-6-24(18-29(28)43-2)32(42)39-13-15-44-16-14-39/h3-12,17-18,20H,13-16,19H2,1-2H3,(H,35,41)(H,36,38)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228383 (US9555022, Example 09.01) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(C(=O)NCc2ccc(F)cc2)c(OC)c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C33H31FN6O5/c1-43-28-17-22(5-10-26(28)31(41)35-19-21-3-8-25(34)9-4-21)24-7-12-30-37-33(38-40(30)20-24)36-27-11-6-23(18-29(27)44-2)32(42)39-13-15-45-16-14-39/h3-12,17-18,20H,13-16,19H2,1-2H3,(H,35,41)(H,36,38)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228385 (US9555022, Example 10.01) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)c(F)c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C32H28F2N6O4/c1-43-28-18-22(31(42)39-12-14-44-15-13-39)5-10-27(28)36-32-37-29-11-6-23(19-40(29)38-32)21-4-9-26(25(34)17-21)35-30(41)16-20-2-7-24(33)8-3-20/h2-11,17-19H,12-16H2,1H3,(H,35,41)(H,36,38)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228387 (US9555022, Example 11.02) Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)nc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C32H30FN7O4/c1-2-44-27-18-22(31(42)39-13-15-43-16-14-39)5-10-26(27)35-32-37-29-12-7-24(20-40(29)38-32)23-6-11-28(34-19-23)36-30(41)17-21-3-8-25(33)9-4-21/h3-12,18-20H,2,13-17H2,1H3,(H,35,38)(H,34,36,41)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228388 (US9555022, Example 12.01) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(C(=O)NCc2ccc(F)cc2F)c(C)c1)N1CCOC1=O Show InChI InChI=1S/C31H26F2N6O4/c1-18-13-19(4-8-24(18)29(40)34-16-20-3-6-22(32)14-25(20)33)21-5-10-28-36-30(37-39(28)17-21)35-26-9-7-23(15-27(26)42-2)38-11-12-43-31(38)41/h3-10,13-15,17H,11-12,16H2,1-2H3,(H,34,40)(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	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228390 (US9555022, Example 13.01) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(nc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CC2(COC2)C1 Show InChI InChI=1S/C32H28FN7O4/c1-43-27-12-21(30(42)39-16-32(17-39)18-44-19-32)4-9-25(27)36-31-37-28-11-6-23(15-40(28)38-31)22-5-10-26(34-14-22)29(41)35-13-20-2-7-24(33)8-3-20/h2-12,14-15H,13,16-19H2,1H3,(H,35,41)(H,36,38)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228362 (US9555022, Example 04.28) Show SMILES Cc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CC2(COC2)C1 Show InChI InChI=1S/C33H29FN6O3/c1-21-14-25(31(42)39-17-33(18-39)19-43-20-33)8-12-28(21)36-32-37-29-13-9-26(16-40(29)38-32)23-4-6-24(7-5-23)30(41)35-15-22-2-10-27(34)11-3-22/h2-14,16H,15,17-20H2,1H3,(H,35,41)(H,36,38)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228370 (US9555022, Example 04.35) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CC(F)C1 Show InChI InChI=1S/C31H26F2N6O3/c1-42-27-14-22(30(41)38-17-25(33)18-38)8-12-26(27)35-31-36-28-13-9-23(16-39(28)37-31)20-4-6-21(7-5-20)29(40)34-15-19-2-10-24(32)11-3-19/h2-14,16,25H,15,17-18H2,1H3,(H,34,40)(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	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228381 (US9555022, Example 08.01) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(C(=O)NCc2ccc(F)cc2)c(Cl)c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C32H28ClFN6O4/c1-43-28-17-22(31(42)39-12-14-44-15-13-39)5-10-27(28)36-32-37-29-11-6-23(19-40(29)38-32)21-4-9-25(26(33)16-21)30(41)35-18-20-2-7-24(34)8-3-20/h2-11,16-17,19H,12-15,18H2,1H3,(H,35,41)(H,36,38)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228259 (US9555022, Example 01.02) Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)CC2CC2)cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C30H32N6O4/c1-2-40-26-18-22(29(38)35-13-15-39-16-14-35)7-11-25(26)32-30-33-27-12-8-23(19-36(27)34-30)21-5-9-24(10-6-21)31-28(37)17-20-3-4-20/h5-12,18-20H,2-4,13-17H2,1H3,(H,31,37)(H,32,34)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228261 (US9555022, Example 02.01) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C32H29FN6O4/c1-42-28-19-23(31(41)38-14-16-43-17-15-38)6-12-27(28)35-32-36-29-13-7-24(20-39(29)37-32)22-4-10-26(11-5-22)34-30(40)18-21-2-8-25(33)9-3-21/h2-13,19-20H,14-18H2,1H3,(H,34,40)(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	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228262 (US9555022, Example 02.02) Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C33H31FN6O4/c1-2-44-29-20-24(32(42)39-15-17-43-18-16-39)7-13-28(29)36-33-37-30-14-8-25(21-40(30)38-33)23-5-11-27(12-6-23)35-31(41)19-22-3-9-26(34)10-4-22/h3-14,20-21H,2,15-19H2,1H3,(H,35,41)(H,36,38)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228265 (US9555022, Example 02.04) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C33H32FN7O3/c1-39-15-17-40(18-16-39)32(43)24-7-13-28(29(20-24)44-2)36-33-37-30-14-8-25(21-41(30)38-33)23-5-11-27(12-6-23)35-31(42)19-22-3-9-26(34)10-4-22/h3-14,20-21H,15-19H2,1-2H3,(H,35,42)(H,36,38)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228266 (US9555022, Example 02.05) Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C38H40FN7O5/c1-5-50-32-23-27(35(48)44-18-20-45(21-19-44)37(49)51-38(2,3)4)10-16-31(32)41-36-42-33-17-11-28(24-46(33)43-36)26-8-14-30(15-9-26)40-34(47)22-25-6-12-29(39)13-7-25/h6-17,23-24H,5,18-22H2,1-4H3,(H,40,47)(H,41,43)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228267 (US9555022, Example 02.06) Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCNCC1 Show InChI InChI=1S/C33H32FN7O3/c1-2-44-29-20-24(32(43)40-17-15-35-16-18-40)7-13-28(29)37-33-38-30-14-8-25(21-41(30)39-33)23-5-11-27(12-6-23)36-31(42)19-22-3-9-26(34)10-4-22/h3-14,20-21,35H,2,15-19H2,1H3,(H,36,42)(H,37,39)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228268 (US9555022, Example 02.07) Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCN(CC2CC2)CC1 Show InChI InChI=1S/C37H38FN7O3/c1-2-48-33-22-28(36(47)44-19-17-43(18-20-44)23-26-3-4-26)9-15-32(33)40-37-41-34-16-10-29(24-45(34)42-37)27-7-13-31(14-8-27)39-35(46)21-25-5-11-30(38)12-6-25/h5-16,22,24,26H,2-4,17-21,23H2,1H3,(H,39,46)(H,40,42)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228270 (US9555022, Example 02.09) Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4OCC(F)(F)F)C(=O)N4CCOCC4)nn3c2)cc1 Show InChI InChI=1S/C33H28F4N6O4/c34-25-7-1-21(2-8-25)17-30(44)38-26-9-3-22(4-10-26)24-6-12-29-40-32(41-43(29)19-24)39-27-11-5-23(18-28(27)47-20-33(35,36)37)31(45)42-13-15-46-16-14-42/h1-12,18-19H,13-17,20H2,(H,38,44)(H,39,41)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228272 (US9555022, Example 02.10) Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4OC(F)(F)F)C(=O)N4CCOCC4)nn3c2)cc1 Show InChI InChI=1S/C32H26F4N6O4/c33-24-7-1-20(2-8-24)17-29(43)37-25-9-3-21(4-10-25)23-6-12-28-39-31(40-42(28)19-23)38-26-11-5-22(18-27(26)46-32(34,35)36)30(44)41-13-15-45-16-14-41/h1-12,18-19H,13-17H2,(H,37,43)(H,38,40)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228273 (US9555022, Example 02.11) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)N1CCOC1=O Show InChI InChI=1S/C30H25FN6O4/c1-40-26-17-24(36-14-15-41-30(36)39)11-12-25(26)33-29-34-27-13-6-21(18-37(27)35-29)20-4-9-23(10-5-20)32-28(38)16-19-2-7-22(31)8-3-19/h2-13,17-18H,14-16H2,1H3,(H,32,38)(H,33,35)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228274 (US9555022, Example 02.12) Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)N1CCOC1=O Show InChI InChI=1S/C31H27FN6O4/c1-2-41-27-18-25(37-15-16-42-31(37)40)12-13-26(27)34-30-35-28-14-7-22(19-38(28)36-30)21-5-10-24(11-6-21)33-29(39)17-20-3-8-23(32)9-4-20/h3-14,18-19H,2,15-17H2,1H3,(H,33,39)(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	<1	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228275 (US9555022, Example 02.13) Show SMILES Cc1cc(ncc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)N1CCOC1=O Show InChI InChI=1S/C29H24FN7O3/c1-18-14-26(36-12-13-40-29(36)39)31-16-24(18)33-28-34-25-11-6-21(17-37(25)35-28)20-4-9-23(10-5-20)32-27(38)15-19-2-7-22(30)8-3-19/h2-11,14,16-17H,12-13,15H2,1H3,(H,32,38)(H,33,35)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228276 (US9555022, Example 02.14) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C1=NCCO1 |t:40| Show InChI InChI=1S/C30H25FN6O3/c1-39-26-17-21(29-32-14-15-40-29)6-12-25(26)34-30-35-27-13-7-22(18-37(27)36-30)20-4-10-24(11-5-20)33-28(38)16-19-2-8-23(31)9-3-19/h2-13,17-18H,14-16H2,1H3,(H,33,38)(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	<1	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228277 (US9555022, Example 02.15) Show SMILES Cc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C1=NCCO1 |t:39| Show InChI InChI=1S/C30H25FN6O2/c1-19-16-22(29-32-14-15-39-29)6-12-26(19)34-30-35-27-13-7-23(18-37(27)36-30)21-4-10-25(11-5-21)33-28(38)17-20-2-8-24(31)9-3-20/h2-13,16,18H,14-15,17H2,1H3,(H,33,38)(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	<1	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228278 (US9555022, Example 02.16) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1C[C@@H]2C[C@H]1CO2 |r,TLB:35:37:43.42:40| Show InChI InChI=1S/C33H29FN6O4/c1-43-29-15-22(32(42)39-18-27-16-26(39)19-44-27)6-12-28(29)36-33-37-30-13-7-23(17-40(30)38-33)21-4-10-25(11-5-21)35-31(41)14-20-2-8-24(34)9-3-20/h2-13,15,17,26-27H,14,16,18-19H2,1H3,(H,35,41)(H,36,38)/t26-,27-/m0/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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228279 (US9555022, Example 02.17) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CC2(COC2)C1 Show InChI InChI=1S/C33H29FN6O4/c1-43-28-15-23(31(42)39-17-33(18-39)19-44-20-33)6-12-27(28)36-32-37-29-13-7-24(16-40(29)38-32)22-4-10-26(11-5-22)35-30(41)14-21-2-8-25(34)9-3-21/h2-13,15-16H,14,17-20H2,1H3,(H,35,41)(H,36,38)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228280 (US9555022, Example 02.18) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C32H29FN6O5S/c1-44-28-19-23(31(41)38-14-16-45(42,43)17-15-38)6-12-27(28)35-32-36-29-13-7-24(20-39(29)37-32)22-4-10-26(11-5-22)34-30(40)18-21-2-8-25(33)9-3-21/h2-13,19-20H,14-18H2,1H3,(H,34,40)(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	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228282 (US9555022, Example 02.19) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CC(O)C1 Show InChI InChI=1S/C31H27FN6O4/c1-42-27-15-21(30(41)37-17-25(39)18-37)6-12-26(27)34-31-35-28-13-7-22(16-38(28)36-31)20-4-10-24(11-5-20)33-29(40)14-19-2-8-23(32)9-3-19/h2-13,15-16,25,39H,14,17-18H2,1H3,(H,33,40)(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	<1	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228284 (US9555022, Example 02.20) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCC(O)CC1 Show InChI InChI=1S/C33H31FN6O4/c1-44-29-19-23(32(43)39-16-14-27(41)15-17-39)6-12-28(29)36-33-37-30-13-7-24(20-40(30)38-33)22-4-10-26(11-5-22)35-31(42)18-21-2-8-25(34)9-3-21/h2-13,19-20,27,41H,14-18H2,1H3,(H,35,42)(H,36,38)	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	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228285 (US9555022, Example 02.21) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)NC1COC1 Show InChI InChI=1S/C31H27FN6O4/c1-41-27-15-21(30(40)34-25-17-42-18-25)6-12-26(27)35-31-36-28-13-7-22(16-38(28)37-31)20-4-10-24(11-5-20)33-29(39)14-19-2-8-23(32)9-3-19/h2-13,15-16,25H,14,17-18H2,1H3,(H,33,39)(H,34,40)(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	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM228286 (US9555022, Example 02.22) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCC1 Show InChI InChI=1S/C31H27FN6O3/c1-41-27-18-22(30(40)37-15-2-16-37)7-13-26(27)34-31-35-28-14-8-23(19-38(28)36-31)21-5-11-25(12-6-21)33-29(39)17-20-3-9-24(32)10-4-20/h3-14,18-19H,2,15-17H2,1H3,(H,33,39)(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	<1	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
					More data for this Ligand-Target Pair

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