Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 11 entry = 50045255 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)) | BDBM50386816
(CHEMBL2047943)Show SMILES Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1 Show InChI InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay |
Bioorg Med Chem 22: 4968-97 (2014)
Article DOI: 10.1016/j.bmc.2014.06.027 BindingDB Entry DOI: 10.7270/Q2K35WB2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50433903
(CHEMBL2380586)Show SMILES Cn1cc(cn1)-c1cc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2cc1NC1CCCCC1 Show InChI InChI=1S/C23H26N6O2S/c1-29-14-16(13-25-29)19-11-22-20(12-21(19)26-17-7-3-2-4-8-17)23(28-27-22)15-6-5-9-18(10-15)32(24,30)31/h5-6,9-14,17,26H,2-4,7-8H2,1H3,(H,27,28)(H2,24,30,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay |
Bioorg Med Chem 22: 4968-97 (2014)
Article DOI: 10.1016/j.bmc.2014.06.027 BindingDB Entry DOI: 10.7270/Q2K35WB2 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50446445
(CHEMBL2140523)Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2n(C)c(=O)n(C3CCCC3)c2n1 Show InChI InChI=1S/C24H32N6O3/c1-28-12-10-17(11-13-28)33-18-8-9-19(21(14-18)32-3)26-23-25-15-20-22(27-23)30(24(31)29(20)2)16-6-4-5-7-16/h8-9,14-17H,4-7,10-13H2,1-3H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay |
Bioorg Med Chem 22: 4968-97 (2014)
Article DOI: 10.1016/j.bmc.2014.06.027 BindingDB Entry DOI: 10.7270/Q2K35WB2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50053315
(CHEMBL3330411)Show SMILES COc1cc(ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C27H32N6O4S/c1-17(2)38(35,36)24-7-5-4-6-22(24)29-26-20-10-13-28-25(20)31-27(32-26)30-21-9-8-18(16-23(21)37-3)33-14-11-19(34)12-15-33/h4-10,13,16-17,19,34H,11-12,14-15H2,1-3H3,(H3,28,29,30,31,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay |
Bioorg Med Chem 22: 4968-97 (2014)
Article DOI: 10.1016/j.bmc.2014.06.027 BindingDB Entry DOI: 10.7270/Q2K35WB2 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50053311
(CHEMBL3330239)Show InChI InChI=1S/C13H10ClN3O2S/c14-10-5-2-6-11-12(10)13(17-16-11)8-3-1-4-9(7-8)20(15,18)19/h1-7H,(H,16,17)(H2,15,18,19) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay |
Bioorg Med Chem 22: 4968-97 (2014)
Article DOI: 10.1016/j.bmc.2014.06.027 BindingDB Entry DOI: 10.7270/Q2K35WB2 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50024294
(SP-600125)Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7,17H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay |
Bioorg Med Chem 22: 4968-97 (2014)
Article DOI: 10.1016/j.bmc.2014.06.027 BindingDB Entry DOI: 10.7270/Q2K35WB2 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50053310
(CHEMBL3330238)Show InChI InChI=1S/C13H11N3O2S/c14-19(17,18)10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)15-16-13/h1-8H,(H,15,16)(H2,14,17,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay |
Bioorg Med Chem 22: 4968-97 (2014)
Article DOI: 10.1016/j.bmc.2014.06.027 BindingDB Entry DOI: 10.7270/Q2K35WB2 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50053307
(CHEMBL3330412)Show InChI InChI=1S/C15H10N4/c16-10-12-1-3-13-14(18-19-15(13)9-12)4-2-11-5-7-17-8-6-11/h1-9H,(H,18,19)/b4-2+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay |
Bioorg Med Chem 22: 4968-97 (2014)
Article DOI: 10.1016/j.bmc.2014.06.027 BindingDB Entry DOI: 10.7270/Q2K35WB2 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50053309
(CHEMBL315708)Show InChI InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-13/h1-9H,(H,14,15) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay |
Bioorg Med Chem 22: 4968-97 (2014)
Article DOI: 10.1016/j.bmc.2014.06.027 BindingDB Entry DOI: 10.7270/Q2K35WB2 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50053308
(CHEMBL3330413)Show InChI InChI=1S/C13H9N3O/c17-8-9-3-4-11-12(6-9)15-16-13(11)10-2-1-5-14-7-10/h1-8H,(H,15,16) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay |
Bioorg Med Chem 22: 4968-97 (2014)
Article DOI: 10.1016/j.bmc.2014.06.027 BindingDB Entry DOI: 10.7270/Q2K35WB2 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50053313
(CHEMBL3330241 | US11370770, Compound 6h)Show InChI InChI=1S/C14H10ClN3O/c15-10-5-2-6-11-12(10)13(18-17-11)8-3-1-4-9(7-8)14(16)19/h1-7H,(H2,16,19)(H,17,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay |
Bioorg Med Chem 22: 4968-97 (2014)
Article DOI: 10.1016/j.bmc.2014.06.027 BindingDB Entry DOI: 10.7270/Q2K35WB2 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50053312
(CHEMBL3330240)Show InChI InChI=1S/C13H10ClN3O2S/c14-10-2-1-3-11-12(10)13(17-16-11)8-4-6-9(7-5-8)20(15,18)19/h1-7H,(H,16,17)(H2,15,18,19) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay |
Bioorg Med Chem 22: 4968-97 (2014)
Article DOI: 10.1016/j.bmc.2014.06.027 BindingDB Entry DOI: 10.7270/Q2K35WB2 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50053314
(CHEMBL3330242)Show InChI InChI=1S/C14H12ClN3/c15-11-5-2-6-12-13(11)14(18-17-12)10-4-1-3-9(7-10)8-16/h1-7H,8,16H2,(H,17,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay |
Bioorg Med Chem 22: 4968-97 (2014)
Article DOI: 10.1016/j.bmc.2014.06.027 BindingDB Entry DOI: 10.7270/Q2K35WB2 |
More data for this Ligand-Target Pair | |