BindingDB logo
myBDB logout

BDBM351407 1,4:3,6-dianhydro-5-O-[4-{[3-bromo-5- (trifluoromethyl)phenyl]amino}-6- (methyloxy)quinazolin-7-yl]-2-deoxy-2-fluoro- D-iditol::US9796704, Entry 127

SMILES: COc1cc2c(Nc3cc(Br)cc(c3)C(F)(F)F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12

InChI Key: InChIKey=FSSHDIKQMARYSU-FCDRMGDPSA-N

Data: 5 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 5 hits for monomerid = 351407   
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
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM351407
PNG
(1,4:3,6-dianhydro-5-O-[4-{[3-bromo-5- (trifluorome...)
Show SMILES COc1cc2c(Nc3cc(Br)cc(c3)C(F)(F)F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
Show InChI InChI=1S/C22H18BrF4N3O4/c1-31-16-5-13-15(6-17(16)34-18-8-33-19-14(24)7-32-20(18)19)28-9-29-21(13)30-12-3-10(22(25,26)27)2-11(23)4-12/h2-6,9,14,18-20H,7-8H2,1H3,(H,28,29,30)/t14-,18-,19+,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



SYMPHONY EVOLUTION, INC.

US Patent


Assay Description
In AlphaScreen, when the donor and acceptor beads are close in proximity, a series of photochemical events will give rise to a fluorescent signal upo...


US Patent US9796704 (2017)


BindingDB Entry DOI: 10.7270/Q28K7C6V
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2


(Homo sapiens (Human))
BDBM351407
PNG
(1,4:3,6-dianhydro-5-O-[4-{[3-bromo-5- (trifluorome...)
Show SMILES COc1cc2c(Nc3cc(Br)cc(c3)C(F)(F)F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
Show InChI InChI=1S/C22H18BrF4N3O4/c1-31-16-5-13-15(6-17(16)34-18-8-33-19-14(24)7-32-20(18)19)28-9-29-21(13)30-12-3-10(22(25,26)27)2-11(23)4-12/h2-6,9,14,18-20H,7-8H2,1H3,(H,28,29,30)/t14-,18-,19+,20+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



SYMPHONY EVOLUTION, INC.

US Patent


Assay Description
In AlphaScreen, when the donor and acceptor beads are close in proximity, a series of photochemical events will give rise to a fluorescent signal upo...


US Patent US9796704 (2017)


BindingDB Entry DOI: 10.7270/Q28K7C6V
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM351407
PNG
(1,4:3,6-dianhydro-5-O-[4-{[3-bromo-5- (trifluorome...)
Show SMILES COc1cc2c(Nc3cc(Br)cc(c3)C(F)(F)F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
Show InChI InChI=1S/C22H18BrF4N3O4/c1-31-16-5-13-15(6-17(16)34-18-8-33-19-14(24)7-32-20(18)19)28-9-29-21(13)30-12-3-10(22(25,26)27)2-11(23)4-12/h2-6,9,14,18-20H,7-8H2,1H3,(H,28,29,30)/t14-,18-,19+,20+/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



SYMPHONY EVOLUTION, INC.

US Patent


Assay Description
In AlphaScreen, when the donor and acceptor beads are close in proximity, a series of photochemical events will give rise to a fluorescent signal upo...


US Patent US9796704 (2017)


BindingDB Entry DOI: 10.7270/Q28K7C6V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM351407
PNG
(1,4:3,6-dianhydro-5-O-[4-{[3-bromo-5- (trifluorome...)
Show SMILES COc1cc2c(Nc3cc(Br)cc(c3)C(F)(F)F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
Show InChI InChI=1S/C22H18BrF4N3O4/c1-31-16-5-13-15(6-17(16)34-18-8-33-19-14(24)7-32-20(18)19)28-9-29-21(13)30-12-3-10(22(25,26)27)2-11(23)4-12/h2-6,9,14,18-20H,7-8H2,1H3,(H,28,29,30)/t14-,18-,19+,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



SYMPHONY EVOLUTION, INC.

US Patent


Assay Description
In AlphaScreen, when the donor and acceptor beads are close in proximity, a series of photochemical events will give rise to a fluorescent signal upo...


US Patent US9796704 (2017)


BindingDB Entry DOI: 10.7270/Q28K7C6V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM351407
PNG
(1,4:3,6-dianhydro-5-O-[4-{[3-bromo-5- (trifluorome...)
Show SMILES COc1cc2c(Nc3cc(Br)cc(c3)C(F)(F)F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
Show InChI InChI=1S/C22H18BrF4N3O4/c1-31-16-5-13-15(6-17(16)34-18-8-33-19-14(24)7-32-20(18)19)28-9-29-21(13)30-12-3-10(22(25,26)27)2-11(23)4-12/h2-6,9,14,18-20H,7-8H2,1H3,(H,28,29,30)/t14-,18-,19+,20+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



SYMPHONY EVOLUTION, INC.

US Patent


Assay Description
In AlphaScreen, when the donor and acceptor beads are close in proximity, a series of photochemical events will give rise to a fluorescent signal upo...


US Patent US9796704 (2017)


BindingDB Entry DOI: 10.7270/Q28K7C6V
More data for this
Ligand-Target Pair