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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cell division control protein 42 homolog' and Ligand = 'BDBM54654'   
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
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM54654
PNG
(4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihy...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1C |c:11|
Show InChI InChI=1S/C23H23N3O3S/c1-16-5-3-4-6-21(16)22-15-23(17-7-11-19(29-2)12-8-17)26(25-22)18-9-13-20(14-10-18)30(24,27)28/h3-14,23H,15H2,1-2H3,(H2,24,27,28)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
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PCBioAssay
360n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2B856J1
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM54654
PNG
(4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihy...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1C |c:11|
Show InChI InChI=1S/C23H23N3O3S/c1-16-5-3-4-6-21(16)22-15-23(17-7-11-19(29-2)12-8-17)26(25-22)18-9-13-20(14-10-18)30(24,27)28/h3-14,23H,15H2,1-2H3,(H2,24,27,28)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
870n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2KS6Q0S
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM54654
PNG
(4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihy...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1C |c:11|
Show InChI InChI=1S/C23H23N3O3S/c1-16-5-3-4-6-21(16)22-15-23(17-7-11-19(29-2)12-8-17)26(25-22)18-9-13-20(14-10-18)30(24,27)28/h3-14,23H,15H2,1-2H3,(H2,24,27,28)
PDB
MMDB

NCI pathway
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KEGG

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PC cid
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n/an/an/an/a 2.34E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2G15Z8C
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM54654
PNG
(4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihy...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1C |c:11|
Show InChI InChI=1S/C23H23N3O3S/c1-16-5-3-4-6-21(16)22-15-23(17-7-11-19(29-2)12-8-17)26(25-22)18-9-13-20(14-10-18)30(24,27)28/h3-14,23H,15H2,1-2H3,(H2,24,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.13E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2QJ7FRJ
More data for this
Ligand-Target Pair