BDBM50371368 CHEMBL258313
SMILES: C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)CCO
InChI Key: InChIKey=WZEUNGUUUBFSGF-QGZVFWFLSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50371368 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 |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371368
(CHEMBL258313)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)CCO Show InChI InChI=1S/C26H26ClN5O4/c1-17(26(34)32(2)12-13-33)36-23-8-5-7-21-24(23)25(30-16-29-21)31-18-9-10-22(20(27)14-18)35-15-19-6-3-4-11-28-19/h3-11,14,16-17,33H,12-13,15H2,1-2H3,(H,29,30,31)/t17-/m1/s1 | PDB MMDB
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052 BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50371368
(CHEMBL258313)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)CCO Show InChI InChI=1S/C26H26ClN5O4/c1-17(26(34)32(2)12-13-33)36-23-8-5-7-21-24(23)25(30-16-29-21)31-18-9-10-22(20(27)14-18)35-15-19-6-3-4-11-28-19/h3-11,14,16-17,33H,12-13,15H2,1-2H3,(H,29,30,31)/t17-/m1/s1 | 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 | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052 BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this Ligand-Target Pair | |