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SMILES: COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(CO)n1

InChI Key: InChIKey=ATNQJIZWZJGBST-UHFFFAOYSA-N

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 = 351526   
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))
BDBM351526
PNG
(US9796704, Entry 246 | [4-({[4-[(3,4-dichloropheny...)
Show SMILES COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(CO)n1
Show InChI InChI=1S/C20H16Cl2N4O3S/c1-28-17-5-13-16(6-18(17)29-8-12-9-30-19(7-27)25-12)23-10-24-20(13)26-11-2-3-14(21)15(22)4-11/h2-6,9-10,27H,7-8H2,1H3,(H,23,24,26)
PDB
MMDB

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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-A receptor 2


(Homo sapiens (Human))
BDBM351526
PNG
(US9796704, Entry 246 | [4-({[4-[(3,4-dichloropheny...)
Show SMILES COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(CO)n1
Show InChI InChI=1S/C20H16Cl2N4O3S/c1-28-17-5-13-16(6-18(17)29-8-12-9-30-19(7-27)25-12)23-10-24-20(13)26-11-2-3-14(21)15(22)4-11/h2-6,9-10,27H,7-8H2,1H3,(H,23,24,26)
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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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM351526
PNG
(US9796704, Entry 246 | [4-({[4-[(3,4-dichloropheny...)
Show SMILES COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(CO)n1
Show InChI InChI=1S/C20H16Cl2N4O3S/c1-28-17-5-13-16(6-18(17)29-8-12-9-30-19(7-27)25-12)23-10-24-20(13)26-11-2-3-14(21)15(22)4-11/h2-6,9-10,27H,7-8H2,1H3,(H,23,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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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))
BDBM351526
PNG
(US9796704, Entry 246 | [4-({[4-[(3,4-dichloropheny...)
Show SMILES COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(CO)n1
Show InChI InChI=1S/C20H16Cl2N4O3S/c1-28-17-5-13-16(6-18(17)29-8-12-9-30-19(7-27)25-12)23-10-24-20(13)26-11-2-3-14(21)15(22)4-11/h2-6,9-10,27H,7-8H2,1H3,(H,23,24,26)
PDB
MMDB

KEGG

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PC sid
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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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM351526
PNG
(US9796704, Entry 246 | [4-({[4-[(3,4-dichloropheny...)
Show SMILES COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(CO)n1
Show InChI InChI=1S/C20H16Cl2N4O3S/c1-28-17-5-13-16(6-18(17)29-8-12-9-30-19(7-27)25-12)23-10-24-20(13)26-11-2-3-14(21)15(22)4-11/h2-6,9-10,27H,7-8H2,1H3,(H,23,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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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