BDBM50335610 3-((4-(6-chloro-2-(4-(4-methylpiperazin-1-yl)phenyl)-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)methyl)-5-methylisoxazole::CHEMBL1651456
SMILES: CN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
InChI Key: InChIKey=DRNKFZMXQOCVNA-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50335610 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)) | BDBM50335610
(3-((4-(6-chloro-2-(4-(4-methylpiperazin-1-yl)pheny...)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 Show InChI InChI=1S/C26H31ClN8O/c1-18-15-20(31-36-18)17-33-9-13-35(14-10-33)24-22(27)16-28-26-23(24)29-25(30-26)19-3-5-21(6-4-19)34-11-7-32(2)8-12-34/h3-6,15-16H,7-14,17H2,1-2H3,(H,28,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of human ERG by whole-cell voltage clamping |
J Med Chem 55: 8721-34 (2012)
Article DOI: 10.1021/jm300952s BindingDB Entry DOI: 10.7270/Q22J6D2W |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50335610
(3-((4-(6-chloro-2-(4-(4-methylpiperazin-1-yl)pheny...)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 Show InChI InChI=1S/C26H31ClN8O/c1-18-15-20(31-36-18)17-33-9-13-35(14-10-33)24-22(27)16-28-26-23(24)29-25(30-26)19-3-5-21(6-4-19)34-11-7-32(2)8-12-34/h3-6,15-16H,7-14,17H2,1-2H3,(H,28,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description Inhibition of Aurora A |
Eur J Med Chem 46: 77-94 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.017 BindingDB Entry DOI: 10.7270/Q25X296N |
More data for this Ligand-Target Pair | 3D Structure (docked) |