BDBM50386831 CHEMBL2047959
SMILES: COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCN(CC1)S(C)(=O)=O
InChI Key: InChIKey=UTMJODBGZJGLMG-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50386831 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50386831
(CHEMBL2047959)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C23H32N8O3S/c1-34-19-14-17(30-10-12-31(13-11-30)35(2,32)33)8-9-18(19)27-23-28-21-20(24-15-25-21)22(29-23)26-16-6-4-3-5-7-16/h8-9,14-16H,3-7,10-13H2,1-2H3,(H3,24,25,26,27,28,29) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131 BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386831
(CHEMBL2047959)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C23H32N8O3S/c1-34-19-14-17(30-10-12-31(13-11-30)35(2,32)33)8-9-18(19)27-23-28-21-20(24-15-25-21)22(29-23)26-16-6-4-3-5-7-16/h8-9,14-16H,3-7,10-13H2,1-2H3,(H3,24,25,26,27,28,29) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length Mps1 kinase (unknown origin) |
Bioorg Med Chem Lett 23: 6829-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.008 BindingDB Entry DOI: 10.7270/Q2GM88ST |
More data for this Ligand-Target Pair | |