Found 8 hits for monomerid = 50439948 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 |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50439948
(CHEMBL2420425)Show SMILES CN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C32H32N4O4S/c1-34-11-13-35(14-12-34)20-28(38)33-25-10-9-22(32-30(25)24-5-2-3-8-27(24)41-32)21-6-4-7-23-26(37)19-29(40-31(21)23)36-15-17-39-18-16-36/h2-10,19H,11-18,20H2,1H3,(H,33,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in cisapride treated CHO cells by Ion Works assay |
J Med Chem 56: 6386-401 (2013)
Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD |
More data for this Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50439948
(CHEMBL2420425)Show SMILES CN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C32H32N4O4S/c1-34-11-13-35(14-12-34)20-28(38)33-25-10-9-22(32-30(25)24-5-2-3-8-27(24)41-32)21-6-4-7-23-26(37)19-29(40-31(21)23)36-15-17-39-18-16-36/h2-10,19H,11-18,20H2,1H3,(H,33,38) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay |
J Med Chem 56: 6386-401 (2013)
Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50439948
(CHEMBL2420425)Show SMILES CN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C32H32N4O4S/c1-34-11-13-35(14-12-34)20-28(38)33-25-10-9-22(32-30(25)24-5-2-3-8-27(24)41-32)21-6-4-7-23-26(37)19-29(40-31(21)23)36-15-17-39-18-16-36/h2-10,19H,11-18,20H2,1H3,(H,33,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
J Med Chem 56: 6386-401 (2013)
Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50439948
(CHEMBL2420425)Show SMILES CN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C32H32N4O4S/c1-34-11-13-35(14-12-34)20-28(38)33-25-10-9-22(32-30(25)24-5-2-3-8-27(24)41-32)21-6-4-7-23-26(37)19-29(40-31(21)23)36-15-17-39-18-16-36/h2-10,19H,11-18,20H2,1H3,(H,33,38) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
J Med Chem 56: 6386-401 (2013)
Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50439948
(CHEMBL2420425)Show SMILES CN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C32H32N4O4S/c1-34-11-13-35(14-12-34)20-28(38)33-25-10-9-22(32-30(25)24-5-2-3-8-27(24)41-32)21-6-4-7-23-26(37)19-29(40-31(21)23)36-15-17-39-18-16-36/h2-10,19H,11-18,20H2,1H3,(H,33,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
J Med Chem 56: 6386-401 (2013)
Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50439948
(CHEMBL2420425)Show SMILES CN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C32H32N4O4S/c1-34-11-13-35(14-12-34)20-28(38)33-25-10-9-22(32-30(25)24-5-2-3-8-27(24)41-32)21-6-4-7-23-26(37)19-29(40-31(21)23)36-15-17-39-18-16-36/h2-10,19H,11-18,20H2,1H3,(H,33,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
J Med Chem 56: 6386-401 (2013)
Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50439948
(CHEMBL2420425)Show SMILES CN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C32H32N4O4S/c1-34-11-13-35(14-12-34)20-28(38)33-25-10-9-22(32-30(25)24-5-2-3-8-27(24)41-32)21-6-4-7-23-26(37)19-29(40-31(21)23)36-15-17-39-18-16-36/h2-10,19H,11-18,20H2,1H3,(H,33,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
J Med Chem 56: 6386-401 (2013)
Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD |
More data for this Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50439948
(CHEMBL2420425)Show SMILES CN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C32H32N4O4S/c1-34-11-13-35(14-12-34)20-28(38)33-25-10-9-22(32-30(25)24-5-2-3-8-27(24)41-32)21-6-4-7-23-26(37)19-29(40-31(21)23)36-15-17-39-18-16-36/h2-10,19H,11-18,20H2,1H3,(H,33,38) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 426 | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description Inhibition of DNA-PK autophosphorylation at S2056 in human HeLa cells |
J Med Chem 56: 6386-401 (2013)
Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD |
More data for this Ligand-Target Pair | |