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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 530.4
BDBM351535

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM351535
PNG
(N-(3,4-dichlorophenyl)-7-[({2-[(2S)-1- ethylpyrrol...)
Show SMILES CCN1CCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1
Show InChI InChI=1S/C25H25Cl2N5O2S/c1-3-32-8-4-5-21(32)25-31-16(13-35-25)12-34-23-11-20-17(10-22(23)33-2)24(29-14-28-20)30-15-6-7-18(26)19(27)9-15/h6-7,9-11,13-14,21H,3-5,8,12H2,1-2H3,(H,28,29,30)
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PC sid
UniChem
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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-B receptor 4


(Homo sapiens (Human))
BDBM351535
PNG
(N-(3,4-dichlorophenyl)-7-[({2-[(2S)-1- ethylpyrrol...)
Show SMILES CCN1CCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1
Show InChI InChI=1S/C25H25Cl2N5O2S/c1-3-32-8-4-5-21(32)25-31-16(13-35-25)12-34-23-11-20-17(10-22(23)33-2)24(29-14-28-20)30-15-6-7-18(26)19(27)9-15/h6-7,9-11,13-14,21H,3-5,8,12H2,1-2H3,(H,28,29,30)
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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM351535
PNG
(N-(3,4-dichlorophenyl)-7-[({2-[(2S)-1- ethylpyrrol...)
Show SMILES CCN1CCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1
Show InChI InChI=1S/C25H25Cl2N5O2S/c1-3-32-8-4-5-21(32)25-31-16(13-35-25)12-34-23-11-20-17(10-22(23)33-2)24(29-14-28-20)30-15-6-7-18(26)19(27)9-15/h6-7,9-11,13-14,21H,3-5,8,12H2,1-2H3,(H,28,29,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.05E+4n/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))
BDBM351535
PNG
(N-(3,4-dichlorophenyl)-7-[({2-[(2S)-1- ethylpyrrol...)
Show SMILES CCN1CCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1
Show InChI InChI=1S/C25H25Cl2N5O2S/c1-3-32-8-4-5-21(32)25-31-16(13-35-25)12-34-23-11-20-17(10-22(23)33-2)24(29-14-28-20)30-15-6-7-18(26)19(27)9-15/h6-7,9-11,13-14,21H,3-5,8,12H2,1-2H3,(H,28,29,30)
PDB
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PC sid
UniChem
US Patent
n/an/a 1.05E+4n/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))
BDBM351535
PNG
(N-(3,4-dichlorophenyl)-7-[({2-[(2S)-1- ethylpyrrol...)
Show SMILES CCN1CCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1
Show InChI InChI=1S/C25H25Cl2N5O2S/c1-3-32-8-4-5-21(32)25-31-16(13-35-25)12-34-23-11-20-17(10-22(23)33-2)24(29-14-28-20)30-15-6-7-18(26)19(27)9-15/h6-7,9-11,13-14,21H,3-5,8,12H2,1-2H3,(H,28,29,30)
PDB
MMDB

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Reactome pathway
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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.05E+4n/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