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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 = 'BDBM54641'   
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))
BDBM54641
PNG
(4-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Cl |c:11|
Show InChI InChI=1S/C22H20ClN3O3S/c1-29-17-10-6-15(7-11-17)22-14-21(19-4-2-3-5-20(19)23)25-26(22)16-8-12-18(13-9-16)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

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PCBioAssay
450n/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))
BDBM54641
PNG
(4-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Cl |c:11|
Show InChI InChI=1S/C22H20ClN3O3S/c1-29-17-10-6-15(7-11-17)22-14-21(19-4-2-3-5-20(19)23)25-26(22)16-8-12-18(13-9-16)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
550n/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))
BDBM54641
PNG
(4-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Cl |c:11|
Show InChI InChI=1S/C22H20ClN3O3S/c1-29-17-10-6-15(7-11-17)22-14-21(19-4-2-3-5-20(19)23)25-26(22)16-8-12-18(13-9-16)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 2.88E+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))
BDBM54641
PNG
(4-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Cl |c:11|
Show InChI InChI=1S/C22H20ClN3O3S/c1-29-17-10-6-15(7-11-17)22-14-21(19-4-2-3-5-20(19)23)25-26(22)16-8-12-18(13-9-16)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.59E+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