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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'PC4 and SFRS1-interacting protein' and Ligand = 'BDBM50708'   
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
PC4 and SFRS1-interacting protein


(Homo sapiens (Human))
BDBM50708
PNG
(1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1...)
Show SMILES CN(C)S(=O)(=O)c1cccc(NC(=S)NN=Cc2ccc(O)c(O)c2O)c1 |w:15.14|
Show InChI InChI=1S/C16H18N4O5S2/c1-20(2)27(24,25)12-5-3-4-11(8-12)18-16(26)19-17-9-10-6-7-13(21)15(23)14(10)22/h3-9,21-23H,1-2H3,(H2,18,19,26)
PDB
MMDB

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B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.35E+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
PC4 and SFRS1-interacting protein


(Homo sapiens (Human))
BDBM50708
PNG
(1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1...)
Show SMILES CN(C)S(=O)(=O)c1cccc(NC(=S)NN=Cc2ccc(O)c(O)c2O)c1 |w:15.14|
Show InChI InChI=1S/C16H18N4O5S2/c1-20(2)27(24,25)12-5-3-4-11(8-12)18-16(26)19-17-9-10-6-7-13(21)15(23)14(10)22/h3-9,21-23H,1-2H3,(H2,18,19,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.48E+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