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BDBM65971 3-[[(E)-3-[4-(4-bromobenzyl)oxyphenyl]-2-cyano-acryloyl]amino]benzoic acid::3-[[(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid::3-[[(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid::3-[[(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid::MLS-0336006.0001::cid_2372242

SMILES: OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)\C#N)c1

InChI Key: InChIKey=JIMLOXBHGGUDPE-XDHOZWIPSA-N

Data: 7 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 7 hits for monomerid = 65971   
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM65971
PNG
(3-[[(E)-3-[4-(4-bromobenzyl)oxyphenyl]-2-cyano-acr...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17BrN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
PDB

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UniChem

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PCBioAssay
n/an/a 3.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM65971
PNG
(3-[[(E)-3-[4-(4-bromobenzyl)oxyphenyl]-2-cyano-acr...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17BrN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
PDB

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UniChem

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n/an/a 1.94E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM65971
PNG
(3-[[(E)-3-[4-(4-bromobenzyl)oxyphenyl]-2-cyano-acr...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17BrN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 925n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens)
BDBM65971
PNG
(3-[[(E)-3-[4-(4-bromobenzyl)oxyphenyl]-2-cyano-acr...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17BrN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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Article
PCBioAssay
n/an/a 1.83E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM65971
PNG
(3-[[(E)-3-[4-(4-bromobenzyl)oxyphenyl]-2-cyano-acr...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17BrN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 343n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens)
BDBM65971
PNG
(3-[[(E)-3-[4-(4-bromobenzyl)oxyphenyl]-2-cyano-acr...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17BrN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem

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PCBioAssay
n/an/a 714n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM65971
PNG
(3-[[(E)-3-[4-(4-bromobenzyl)oxyphenyl]-2-cyano-acr...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17BrN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
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UniChem

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PCBioAssay
n/an/a 3.37E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


Citation and Details
More data for this
Ligand-Target Pair