BDBM4590 (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]but-2-enamide::4-anilinoquinazoline deriv. 16p
SMILES: COC[C@H]1CCCN1C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
InChI Key: InChIKey=RHVQWSMLJGXEQH-BTZGUFSASA-N
Data: 2 IC50
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)) | BDBM4590 ((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 733 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research | Assay Description The HER-2 kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po... | J Med Chem 44: 2719-34 (2001) Article DOI: 10.1021/jm0005555 BindingDB Entry DOI: 10.7270/Q2PN93TS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM4590 ((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research | Assay Description The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po... | J Med Chem 44: 2719-34 (2001) Article DOI: 10.1021/jm0005555 BindingDB Entry DOI: 10.7270/Q2PN93TS | |||||||||||
More data for this Ligand-Target Pair |