Found 16 hits for monomerid = 50053304 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 |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50053304
(CHEMBL3330410)Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12 Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31) | PDB MMDB
NCI pathway Reactome pathway 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 PLK1 (unknown origin) by FRET-based homogenous 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)) | BDBM50053304
(CHEMBL3330410)Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12 Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31) | 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 | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
EntreMed Inc.
Curated by ChEMBL
| Assay Description Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind... |
J Med Chem 58: 3366-92 (2015)
Article DOI: 10.1021/jm501740a BindingDB Entry DOI: 10.7270/Q2Q52RCN |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50053304
(CHEMBL3330410)Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12 Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
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 PLK3 (unknown origin) by FRET-based homogenous 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 | |
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM50053304
(CHEMBL3330410)Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12 Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human PLK4 (1-391 residues) phosphorylation by ELISA |
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 | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50053304
(CHEMBL3330410)Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12 Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) by FRET-based homogenous 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 | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50053304
(CHEMBL3330410)Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12 Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) by FRET-based homogenous 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 | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50053304
(CHEMBL3330410)Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12 Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of CHK2 (unknown origin) by FRET-based homogenous 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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50053304
(CHEMBL3330410)Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12 Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in supersomes (unknown origin) using Dibenzylfluorescein as substrate after 10 mins |
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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50053304
(CHEMBL3330410)Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12 Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in supersomes (unknown origin) using 7-benzyloxy-4-trifluoromethylcoumarin as substrate after 30 mins |
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 | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50053304
(CHEMBL3330410)Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12 Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in supersomes (unknown origin) using MFC as substrate after 30 mins |
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)) | BDBM50053304
(CHEMBL3330410)Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12 Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31) | 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 | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of SUMO-tagged human TTK (1-275 residues) 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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50053304
(CHEMBL3330410)Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12 Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in supersomes (unknown origin) using MFC as substrate after 30 mins |
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 | |
Cytochrome P450 1A
(Homo sapiens (Human)) | BDBM50053304
(CHEMBL3330410)Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12 Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31) | PDB MMDB
Reactome pathway KEGG
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in supersomes (unknown origin) using CEC as substrate after 30 mins |
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 | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50053304
(CHEMBL3330410)Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12 Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in supersomes (unknown origin) using AMMC as substrate after 30 mins |
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)) | BDBM50053304
(CHEMBL3330410)Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12 Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31) | 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 | n/a | n/a | 420 | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of TTK in human HCT116 cells assessed as phosphorylation of histone H3 at Ser10 residue after 4 hrs by immunoassay |
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 | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50053304
(CHEMBL3330410)Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12 Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31) | PDB
NCI pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description Inhibition of PLK2 (unknown origin) by FRET-based homogenous 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 | |