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BDBM54613 3-(4-methoxyphenyl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole::5-(4-methoxyphenyl)-1-(4-nitrophenyl)-3-phenyl-2-pyrazoline::UNM-0000305852::cid_2865225

SMILES: COc1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1

InChI Key: InChIKey=ZXXBEBZOSMCNTC-UHFFFAOYNA-N

Data: 8 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 54613   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54613
PNG
(3-(4-methoxyphenyl)-2-(4-nitrophenyl)-5-phenyl-3,4...)
Show SMILES COc1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1/C22H19N3O3/c1-28-20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)23-24(22)18-9-11-19(12-10-18)25(26)27/h2-14,22H,15H2,1H3
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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 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JC6
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54613
PNG
(3-(4-methoxyphenyl)-2-(4-nitrophenyl)-5-phenyl-3,4...)
Show SMILES COc1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1/C22H19N3O3/c1-28-20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)23-24(22)18-9-11-19(12-10-18)25(26)27/h2-14,22H,15H2,1H3
GoogleScholar
PC cid
PC sid
UniChem

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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/Q2KK9971
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54613
PNG
(3-(4-methoxyphenyl)-2-(4-nitrophenyl)-5-phenyl-3,4...)
Show SMILES COc1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1/C22H19N3O3/c1-28-20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)23-24(22)18-9-11-19(12-10-18)25(26)27/h2-14,22H,15H2,1H3
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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/Q2B56H55
More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54613
PNG
(3-(4-methoxyphenyl)-2-(4-nitrophenyl)-5-phenyl-3,4...)
Show SMILES COc1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1/C22H19N3O3/c1-28-20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)23-24(22)18-9-11-19(12-10-18)25(26)27/h2-14,22H,15H2,1H3
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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)


Article DOI: 10.1111/cbdd.12116
BindingDB Entry DOI: 10.7270/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54613
PNG
(3-(4-methoxyphenyl)-2-(4-nitrophenyl)-5-phenyl-3,4...)
Show SMILES COc1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1/C22H19N3O3/c1-28-20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)23-24(22)18-9-11-19(12-10-18)25(26)27/h2-14,22H,15H2,1H3
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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)


Article DOI: 10.1111/cbdd.12189
BindingDB Entry DOI: 10.7270/Q2959G0B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54613
PNG
(3-(4-methoxyphenyl)-2-(4-nitrophenyl)-5-phenyl-3,4...)
Show SMILES COc1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1/C22H19N3O3/c1-28-20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)23-24(22)18-9-11-19(12-10-18)25(26)27/h2-14,22H,15H2,1H3
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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)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q2QJ7FRJ
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54613
PNG
(3-(4-methoxyphenyl)-2-(4-nitrophenyl)-5-phenyl-3,4...)
Show SMILES COc1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1/C22H19N3O3/c1-28-20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)23-24(22)18-9-11-19(12-10-18)25(26)27/h2-14,22H,15H2,1H3
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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)


Article DOI: 10.1021/cb400200h
BindingDB Entry DOI: 10.7270/Q2G15Z8C
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54613
PNG
(3-(4-methoxyphenyl)-2-(4-nitrophenyl)-5-phenyl-3,4...)
Show SMILES COc1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1/C22H19N3O3/c1-28-20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)23-24(22)18-9-11-19(12-10-18)25(26)27/h2-14,22H,15H2,1H3
GoogleScholar
PC cid
PC sid
UniChem

Similars

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/Q22N50Q3
More data for this
Ligand-Target Pair