BDBM50189114 CHEMBL265367::N-(4-(3-fluorobenzyloxy)-3-(trifluoromethyl)phenyl)-6-(5-((2-(1-methyl-1H-imidazol-2-ylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4-amine
SMILES: Cn1ccnc1S(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(c3)C(F)(F)F)c2c1
InChI Key: InChIKey=AZDCMGDGNHSVCZ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50189114 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)) | BDBM50189114
(CHEMBL265367 | N-(4-(3-fluorobenzyloxy)-3-(trifluo...)Show SMILES Cn1ccnc1S(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C33H28F4N6O4S/c1-43-13-11-39-32(43)48(44,45)14-12-38-18-25-7-10-29(47-25)22-5-8-28-26(16-22)31(41-20-40-28)42-24-6-9-30(27(17-24)33(35,36)37)46-19-21-3-2-4-23(34)15-21/h2-11,13,15-17,20,38H,12,14,18-19H2,1H3,(H,40,41,42) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090 BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189114
(CHEMBL265367 | N-(4-(3-fluorobenzyloxy)-3-(trifluo...)Show SMILES Cn1ccnc1S(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C33H28F4N6O4S/c1-43-13-11-39-32(43)48(44,45)14-12-38-18-25-7-10-29(47-25)22-5-8-28-26(16-22)31(41-20-40-28)42-24-6-9-30(27(17-24)33(35,36)37)46-19-21-3-2-4-23(34)15-21/h2-11,13,15-17,20,38H,12,14,18-19H2,1H3,(H,40,41,42) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090 BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this Ligand-Target Pair | |