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BDBM264176 (E)-N-(7-((1R,5S,6R)-3-oxabicyclo[3.1.0]hexan-6-ylmethoxy)-4-(3-chloro-4-fluorophenylamino)quinazolin-6-yl)-4-((S)-2-(methoxymethyl)azetidin-1-yl)but-2-enamide::US9714235, 20

SMILES: COC[C@@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1[C@@H]2COC[C@H]12

InChI Key: InChIKey=XAHNKMWYZJATAR-FOSHTGJENA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 264176   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM264176
PNG
((E)-N-(7-((1R,5S,6R)-3-oxabicyclo[3.1.0]hexan-6-yl...)
Show SMILES COC[C@@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1[C@@H]2COC[C@H]12
Show InChI InChI=1/C29H31ClFN5O4/c1-38-12-18-6-8-36(18)7-2-3-28(37)35-26-10-19-25(11-27(26)40-15-22-20-13-39-14-21(20)22)32-16-33-29(19)34-17-4-5-24(31)23(30)9-17/h2-5,9-11,16,18,20-22H,6-8,12-15H2,1H3,(H,35,37)(H,32,33,34)/b3-2+/t18-,20-,21+,22+/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 15.6n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


US Patent US9714235 (2017)


BindingDB Entry DOI: 10.7270/Q20G3N5P
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM264176
PNG
((E)-N-(7-((1R,5S,6R)-3-oxabicyclo[3.1.0]hexan-6-yl...)
Show SMILES COC[C@@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1[C@@H]2COC[C@H]12
Show InChI InChI=1/C29H31ClFN5O4/c1-38-12-18-6-8-36(18)7-2-3-28(37)35-26-10-19-25(11-27(26)40-15-22-20-13-39-14-21(20)22)32-16-33-29(19)34-17-4-5-24(31)23(30)9-17/h2-5,9-11,16,18,20-22H,6-8,12-15H2,1H3,(H,35,37)(H,32,33,34)/b3-2+/t18-,20-,21+,22+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 22.2n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


US Patent US9714235 (2017)


BindingDB Entry DOI: 10.7270/Q20G3N5P
More data for this
Ligand-Target Pair