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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 = 'BDBM87457'   
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))
BDBM87457
PNG
(1,4-Dicaffeylquinic acid | 1,4-bis[(E)-3-(3,4-dihy...)
Show SMILES OC1CC(CC(O)C1OC(=O)\C=C\c1ccc(O)c(O)c1)(OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |(6.57,-.33,;7.91,.44,;7.91,1.98,;9.24,2.75,;10.58,1.98,;10.58,.44,;11.91,-.33,;9.24,-.33,;9.24,-1.87,;7.91,-2.64,;6.57,-1.87,;7.91,-4.18,;6.57,-4.95,;6.57,-6.49,;7.91,-7.26,;7.91,-8.8,;6.57,-9.57,;6.57,-11.11,;5.24,-8.8,;3.91,-9.57,;5.24,-7.26,;10.01,4.09,;11.55,4.09,;12.32,2.75,;12.32,5.42,;13.86,5.42,;14.63,6.76,;13.86,8.09,;14.63,9.42,;16.17,9.42,;16.94,10.76,;16.94,8.09,;18.48,8.09,;16.17,6.76,;8.47,4.09,;6.93,4.09,;9.24,5.42,)|
Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.07E+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))
BDBM87457
PNG
(1,4-Dicaffeylquinic acid | 1,4-bis[(E)-3-(3,4-dihy...)
Show SMILES OC1CC(CC(O)C1OC(=O)\C=C\c1ccc(O)c(O)c1)(OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |(6.57,-.33,;7.91,.44,;7.91,1.98,;9.24,2.75,;10.58,1.98,;10.58,.44,;11.91,-.33,;9.24,-.33,;9.24,-1.87,;7.91,-2.64,;6.57,-1.87,;7.91,-4.18,;6.57,-4.95,;6.57,-6.49,;7.91,-7.26,;7.91,-8.8,;6.57,-9.57,;6.57,-11.11,;5.24,-8.8,;3.91,-9.57,;5.24,-7.26,;10.01,4.09,;11.55,4.09,;12.32,2.75,;12.32,5.42,;13.86,5.42,;14.63,6.76,;13.86,8.09,;14.63,9.42,;16.17,9.42,;16.94,10.76,;16.94,8.09,;18.48,8.09,;16.17,6.76,;8.47,4.09,;6.93,4.09,;9.24,5.42,)|
Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.76E+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