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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for monomerid = 49124   
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
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM49124
PNG
(MLS000082574 | SMR000046180 | cid_665142)
Show SMILES CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
Show InChI InChI=1S/C21H22N4O3S2/c1-29-21-23-17-15-12-4-2-5-13(12)16(14-6-3-11-28-14)22-20(15)30-18(17)19(24-21)25(7-9-26)8-10-27/h3,6,11,26-27H,2,4-5,7-10H2,1H3
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n/an/a 410n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2RJ4GWX
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)
BDBM49124
PNG
(MLS000082574 | SMR000046180 | cid_665142)
Show SMILES CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
Show InChI InChI=1S/C21H22N4O3S2/c1-29-21-23-17-15-12-4-2-5-13(12)16(14-6-3-11-28-14)22-20(15)30-18(17)19(24-21)25(7-9-26)8-10-27/h3,6,11,26-27H,2,4-5,7-10H2,1H3
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n/an/a 2.67E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
PC4 and SFRS1-interacting protein


(Homo sapiens (Human))
BDBM49124
PNG
(MLS000082574 | SMR000046180 | cid_665142)
Show SMILES CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
Show InChI InChI=1S/C21H22N4O3S2/c1-29-21-23-17-15-12-4-2-5-13(12)16(14-6-3-11-28-14)22-20(15)30-18(17)19(24-21)25(7-9-26)8-10-27/h3,6,11,26-27H,2,4-5,7-10H2,1H3
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n/an/a 4.85E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM49124
PNG
(MLS000082574 | SMR000046180 | cid_665142)
Show SMILES CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
Show InChI InChI=1S/C21H22N4O3S2/c1-29-21-23-17-15-12-4-2-5-13(12)16(14-6-3-11-28-14)22-20(15)30-18(17)19(24-21)25(7-9-26)8-10-27/h3,6,11,26-27H,2,4-5,7-10H2,1H3
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n/an/a 1.00E+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
Protein artemis


(Homo sapiens (Human))
BDBM49124
PNG
(MLS000082574 | SMR000046180 | cid_665142)
Show SMILES CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
Show InChI InChI=1S/C21H22N4O3S2/c1-29-21-23-17-15-12-4-2-5-13(12)16(14-6-3-11-28-14)22-20(15)30-18(17)19(24-21)25(7-9-26)8-10-27/h3,6,11,26-27H,2,4-5,7-10H2,1H3
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n/an/a 2.00E+4n/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...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2MC8XP5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM49124
PNG
(MLS000082574 | SMR000046180 | cid_665142)
Show SMILES CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
Show InChI InChI=1S/C21H22N4O3S2/c1-29-21-23-17-15-12-4-2-5-13(12)16(14-6-3-11-28-14)22-20(15)30-18(17)19(24-21)25(7-9-26)8-10-27/h3,6,11,26-27H,2,4-5,7-10H2,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
PC4 and SFRS1-interacting protein


(Homo sapiens (Human))
BDBM49124
PNG
(MLS000082574 | SMR000046180 | cid_665142)
Show SMILES CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
Show InChI InChI=1S/C21H22N4O3S2/c1-29-21-23-17-15-12-4-2-5-13(12)16(14-6-3-11-28-14)22-20(15)30-18(17)19(24-21)25(7-9-26)8-10-27/h3,6,11,26-27H,2,4-5,7-10H2,1H3
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n/an/a 5.37E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair