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Compile Data Set for Download or QSAR

Found 8 hits of ec50 for monomerid = 54694   
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
GTPase KRas [1-37]


(Homo sapiens (Human))
BDBM54694
PNG
(1-(2-nitrophenyl)-3-phenyl-2-propyn-1-one | 1-(2-n...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C15H9NO3/c17-15(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)16(18)19/h1-9H
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/an/an/a 7.62E+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/Q23N21VG
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM54694
PNG
(1-(2-nitrophenyl)-3-phenyl-2-propyn-1-one | 1-(2-n...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C15H9NO3/c17-15(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)16(18)19/h1-9H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/an/an/a 3.00E+4n/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/Q26H4FT9
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54694
PNG
(1-(2-nitrophenyl)-3-phenyl-2-propyn-1-one | 1-(2-n...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C15H9NO3/c17-15(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)16(18)19/h1-9H
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/an/an/a 3.00E+4n/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/Q2W37TR5
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)
BDBM54694
PNG
(1-(2-nitrophenyl)-3-phenyl-2-propyn-1-one | 1-(2-n...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C15H9NO3/c17-15(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)16(18)19/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/an/an/a 3.00E+4n/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/Q2X34VWJ
More data for this
Ligand-Target Pair
GTPase KRas [1-37]


(Homo sapiens (Human))
BDBM54694
PNG
(1-(2-nitrophenyl)-3-phenyl-2-propyn-1-one | 1-(2-n...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C15H9NO3/c17-15(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)16(18)19/h1-9H
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/an/an/a 3.00E+4n/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/Q2D21W1M
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54694
PNG
(1-(2-nitrophenyl)-3-phenyl-2-propyn-1-one | 1-(2-n...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C15H9NO3/c17-15(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)16(18)19/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/an/an/a 3.00E+4n/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/Q24M92ZV
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A


(Canis lupus familiaris)
BDBM54694
PNG
(1-(2-nitrophenyl)-3-phenyl-2-propyn-1-one | 1-(2-n...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C15H9NO3/c17-15(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)16(18)19/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/an/an/a 3.00E+4n/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/Q2V40SNS
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM54694
PNG
(1-(2-nitrophenyl)-3-phenyl-2-propyn-1-one | 1-(2-n...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C15H9NO3/c17-15(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)16(18)19/h1-9H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/an/an/a 3.00E+4n/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/Q2Z31X2S
More data for this
Ligand-Target Pair