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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 = 'BDBM46590'   
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))
BDBM46590
PNG
(4-[2-[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1...)
Show SMILES NS(=O)(=O)c1ccc(N=[NH+]Cc2ccc([O-])c(O)c2O)c(c1)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C13H12N4O7S/c14-25(23,24)8-2-3-9(10(5-8)17(21)22)16-15-6-7-1-4-11(18)13(20)12(7)19/h1-5,18-20H,6H2,(H2,14,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.24E+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))
BDBM46590
PNG
(4-[2-[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1...)
Show SMILES NS(=O)(=O)c1ccc(N=[NH+]Cc2ccc([O-])c(O)c2O)c(c1)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C13H12N4O7S/c14-25(23,24)8-2-3-9(10(5-8)17(21)22)16-15-6-7-1-4-11(18)13(20)12(7)19/h1-5,18-20H,6H2,(H2,14,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.40E+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/Q2Q52N9H
More data for this
Ligand-Target Pair