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BDBM351411 1,4:3,6-dianhydro-5-O-[4-[(3-bromo-4- methylphenyl)amino]-6- (methyloxy)quinazolin-7-yl]-2-deoxy-2-fluoro- D-iditol::US9796704, Entry 131

SMILES: COc1cc2c(Nc3ccc(C)c(Br)c3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12

InChI Key: InChIKey=PFBDUGXDPNHKAM-IDCXYZFESA-N

Data: 4 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 4 hits for monomerid = 351411   
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))
BDBM351411
PNG
(1,4:3,6-dianhydro-5-O-[4-[(3-bromo-4- methylphenyl...)
Show SMILES COc1cc2c(Nc3ccc(C)c(Br)c3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
Show InChI InChI=1S/C22H21BrFN3O4/c1-11-3-4-12(5-14(11)23)27-22-13-6-17(28-2)18(7-16(13)25-10-26-22)31-19-9-30-20-15(24)8-29-21(19)20/h3-7,10,15,19-21H,8-9H2,1-2H3,(H,25,26,27)/t15-,19-,20+,21+/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 525n/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))
BDBM351411
PNG
(1,4:3,6-dianhydro-5-O-[4-[(3-bromo-4- methylphenyl...)
Show SMILES COc1cc2c(Nc3ccc(C)c(Br)c3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
Show InChI InChI=1S/C22H21BrFN3O4/c1-11-3-4-12(5-14(11)23)27-22-13-6-17(28-2)18(7-16(13)25-10-26-22)31-19-9-30-20-15(24)8-29-21(19)20/h3-7,10,15,19-21H,8-9H2,1-2H3,(H,25,26,27)/t15-,19-,20+,21+/m1/s1
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KEGG

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antibodypedia
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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))
BDBM351411
PNG
(1,4:3,6-dianhydro-5-O-[4-[(3-bromo-4- methylphenyl...)
Show SMILES COc1cc2c(Nc3ccc(C)c(Br)c3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
Show InChI InChI=1S/C22H21BrFN3O4/c1-11-3-4-12(5-14(11)23)27-22-13-6-17(28-2)18(7-16(13)25-10-26-22)31-19-9-30-20-15(24)8-29-21(19)20/h3-7,10,15,19-21H,8-9H2,1-2H3,(H,25,26,27)/t15-,19-,20+,21+/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 525n/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))
BDBM351411
PNG
(1,4:3,6-dianhydro-5-O-[4-[(3-bromo-4- methylphenyl...)
Show SMILES COc1cc2c(Nc3ccc(C)c(Br)c3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
Show InChI InChI=1S/C22H21BrFN3O4/c1-11-3-4-12(5-14(11)23)27-22-13-6-17(28-2)18(7-16(13)25-10-26-22)31-19-9-30-20-15(24)8-29-21(19)20/h3-7,10,15,19-21H,8-9H2,1-2H3,(H,25,26,27)/t15-,19-,20+,21+/m1/s1
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 525n/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