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SMILES: Oc1c(Br)cc(C=Nn2c(n[nH]c2=S)-c2ccccc2)c(Br)c1O

InChI Key: InChIKey=YGFSSBKDFGKCSU-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 3 hits for monomerid = 51779   
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
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM51779
PNG
((4E)-3,6-bis(bromanyl)-2-oxidanyl-4-[[(3-phenyl-5-...)
Show SMILES Oc1c(Br)cc(C=Nn2c(n[nH]c2=S)-c2ccccc2)c(Br)c1O |w:7.7|
Show InChI InChI=1S/C15H10Br2N4O2S/c16-10-6-9(11(17)13(23)12(10)22)7-18-21-14(19-20-15(21)24)8-4-2-1-3-5-8/h1-7,22-23H,(H,20,24)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.39E+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 (2009)


BindingDB Entry DOI: 10.7270/Q29G5K79
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM51779
PNG
((4E)-3,6-bis(bromanyl)-2-oxidanyl-4-[[(3-phenyl-5-...)
Show SMILES Oc1c(Br)cc(C=Nn2c(n[nH]c2=S)-c2ccccc2)c(Br)c1O |w:7.7|
Show InChI InChI=1S/C15H10Br2N4O2S/c16-10-6-9(11(17)13(23)12(10)22)7-18-21-14(19-20-15(21)24)8-4-2-1-3-5-8/h1-7,22-23H,(H,20,24)
PDB
MMDB

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antibodypedia
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PC cid
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UniChem

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PCBioAssay
n/an/a 1.23E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM51779
PNG
((4E)-3,6-bis(bromanyl)-2-oxidanyl-4-[[(3-phenyl-5-...)
Show SMILES Oc1c(Br)cc(C=Nn2c(n[nH]c2=S)-c2ccccc2)c(Br)c1O |w:7.7|
Show InChI InChI=1S/C15H10Br2N4O2S/c16-10-6-9(11(17)13(23)12(10)22)7-18-21-14(19-20-15(21)24)8-4-2-1-3-5-8/h1-7,22-23H,(H,20,24)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.03E+4n/an/an/an/an/an/a



Sanford-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 (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair