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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 = 'BDBM50259862'   
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))
BDBM50259862
PNG
(13,II8-biapigenin | 3,8''-biapigenin | CHEMBL51525...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)cc3)c2o1 |(4.11,-9.88,;3.39,-11.25,;4.21,-12.55,;3.49,-13.91,;1.94,-13.97,;1.13,-12.67,;1.84,-11.31,;1.22,-15.32,;2.03,-16.61,;1.32,-17.95,;2.13,-19.25,;-.19,-18,;-.92,-19.36,;-.11,-20.67,;-2.45,-19.41,;-3.25,-18.11,;-4.31,-19.19,;-2.52,-16.76,;-3.32,-15.46,;-3.32,-13.91,;-4.67,-13.14,;-6,-13.93,;-7.34,-13.16,;-8.67,-13.94,;-10.01,-13.17,;-8.67,-15.48,;-7.34,-16.25,;-7.34,-17.8,;-6,-15.48,;-4.66,-16.24,;-4.56,-17.65,;-2.16,-12.91,;-.7,-13.43,;.47,-12.42,;.18,-10.91,;1.35,-9.9,;-1.28,-10.4,;-2.45,-11.41,;-1,-16.72,;-.3,-15.38,)|
Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36H
PDB
MMDB

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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.52E+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
PC4 and SFRS1-interacting protein


(Homo sapiens (Human))
BDBM50259862
PNG
(13,II8-biapigenin | 3,8''-biapigenin | CHEMBL51525...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)cc3)c2o1 |(4.11,-9.88,;3.39,-11.25,;4.21,-12.55,;3.49,-13.91,;1.94,-13.97,;1.13,-12.67,;1.84,-11.31,;1.22,-15.32,;2.03,-16.61,;1.32,-17.95,;2.13,-19.25,;-.19,-18,;-.92,-19.36,;-.11,-20.67,;-2.45,-19.41,;-3.25,-18.11,;-4.31,-19.19,;-2.52,-16.76,;-3.32,-15.46,;-3.32,-13.91,;-4.67,-13.14,;-6,-13.93,;-7.34,-13.16,;-8.67,-13.94,;-10.01,-13.17,;-8.67,-15.48,;-7.34,-16.25,;-7.34,-17.8,;-6,-15.48,;-4.66,-16.24,;-4.56,-17.65,;-2.16,-12.91,;-.7,-13.43,;.47,-12.42,;.18,-10.91,;1.35,-9.9,;-1.28,-10.4,;-2.45,-11.41,;-1,-16.72,;-.3,-15.38,)|
Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.23E+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