BindingDB logo
myBDB logout

4 similar compounds to monomer 54618

Compile data set for download or QSAR
Wt: 343.3
BDBM54587
Wt: 386.4
BDBM54614
Wt: 357.4
BDBM54615
Wt: 361.3
BDBM54628

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 54587,54614,54615,54628   
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 C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54614
PNG
(N,N-dimethyl-4-[2-(4-nitrophenyl)-5-phenyl-3,4-dih...)
Show SMILES CN(C)c1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C23H22N4O2/c1-25(2)19-10-8-18(9-11-19)23-16-22(17-6-4-3-5-7-17)24-26(23)20-12-14-21(15-13-20)27(28)29/h3-15,23H,16H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
1.90E+3n/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/Q25D8Q8M
More data for this
Ligand-Target Pair
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM54587
PNG
(1-(4-nitrophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)[N+]1=N[C-](CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-14,21H,15H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.10E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q28W3BXF
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54615
PNG
(2-(2-methylphenyl)-3-(3-nitrophenyl)-5-phenyl-3,4-...)
Show SMILES Cc1ccccc1[N+]1=N[C-](CC1c1cccc(c1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C22H19N3O2/c1-16-8-5-6-13-21(16)24-22(18-11-7-12-19(14-18)25(26)27)15-20(23-24)17-9-3-2-4-10-17/h2-14,22H,15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JC6
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54628
PNG
(3-(4-fluorophenyl)-5-(3-nitrophenyl)-1-phenyl-2-py...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1C[C-](N=[N+]1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN3O2/c22-17-11-9-15(10-12-17)20-14-21(16-5-4-8-19(13-16)25(26)27)24(23-20)18-6-2-1-3-7-18/h1-13,21H,14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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 (2016)


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


(Homo sapiens (Human))
BDBM54587
PNG
(1-(4-nitrophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)[N+]1=N[C-](CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-14,21H,15H2
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/Q2KK9971
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54614
PNG
(N,N-dimethyl-4-[2-(4-nitrophenyl)-5-phenyl-3,4-dih...)
Show SMILES CN(C)c1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C23H22N4O2/c1-25(2)19-10-8-18(9-11-19)23-16-22(17-6-4-3-5-7-17)24-26(23)20-12-14-21(15-13-20)27(28)29/h3-15,23H,16H2,1-2H3
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/Q2KK9971
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54615
PNG
(2-(2-methylphenyl)-3-(3-nitrophenyl)-5-phenyl-3,4-...)
Show SMILES Cc1ccccc1[N+]1=N[C-](CC1c1cccc(c1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C22H19N3O2/c1-16-8-5-6-13-21(16)24-22(18-11-7-12-19(14-18)25(26)27)15-20(23-24)17-9-3-2-4-10-17/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/Q2KK9971
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54628
PNG
(3-(4-fluorophenyl)-5-(3-nitrophenyl)-1-phenyl-2-py...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1C[C-](N=[N+]1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN3O2/c22-17-11-9-15(10-12-17)20-14-21(16-5-4-8-19(13-16)25(26)27)24(23-20)18-6-2-1-3-7-18/h1-13,21H,14H2
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/Q2KK9971
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54587
PNG
(1-(4-nitrophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)[N+]1=N[C-](CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-14,21H,15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54614
PNG
(N,N-dimethyl-4-[2-(4-nitrophenyl)-5-phenyl-3,4-dih...)
Show SMILES CN(C)c1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C23H22N4O2/c1-25(2)19-10-8-18(9-11-19)23-16-22(17-6-4-3-5-7-17)24-26(23)20-12-14-21(15-13-20)27(28)29/h3-15,23H,16H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54615
PNG
(2-(2-methylphenyl)-3-(3-nitrophenyl)-5-phenyl-3,4-...)
Show SMILES Cc1ccccc1[N+]1=N[C-](CC1c1cccc(c1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C22H19N3O2/c1-16-8-5-6-13-21(16)24-22(18-11-7-12-19(14-18)25(26)27)15-20(23-24)17-9-3-2-4-10-17/h2-14,22H,15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54628
PNG
(3-(4-fluorophenyl)-5-(3-nitrophenyl)-1-phenyl-2-py...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1C[C-](N=[N+]1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN3O2/c22-17-11-9-15(10-12-17)20-14-21(16-5-4-8-19(13-16)25(26)27)24(23-20)18-6-2-1-3-7-18/h1-13,21H,14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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/Q2B56H55
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54587
PNG
(1-(4-nitrophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)[N+]1=N[C-](CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-14,21H,15H2
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
ras protein


(Homo sapiens (Human))
BDBM54614
PNG
(N,N-dimethyl-4-[2-(4-nitrophenyl)-5-phenyl-3,4-dih...)
Show SMILES CN(C)c1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C23H22N4O2/c1-25(2)19-10-8-18(9-11-19)23-16-22(17-6-4-3-5-7-17)24-26(23)20-12-14-21(15-13-20)27(28)29/h3-15,23H,16H2,1-2H3
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
ras protein


(Homo sapiens (Human))
BDBM54615
PNG
(2-(2-methylphenyl)-3-(3-nitrophenyl)-5-phenyl-3,4-...)
Show SMILES Cc1ccccc1[N+]1=N[C-](CC1c1cccc(c1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C22H19N3O2/c1-16-8-5-6-13-21(16)24-22(18-11-7-12-19(14-18)25(26)27)15-20(23-24)17-9-3-2-4-10-17/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
ras protein


(Homo sapiens (Human))
BDBM54628
PNG
(3-(4-fluorophenyl)-5-(3-nitrophenyl)-1-phenyl-2-py...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1C[C-](N=[N+]1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN3O2/c22-17-11-9-15(10-12-17)20-14-21(16-5-4-8-19(13-16)25(26)27)24(23-20)18-6-2-1-3-7-18/h1-13,21H,14H2
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
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54587
PNG
(1-(4-nitrophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)[N+]1=N[C-](CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-14,21H,15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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/Q2959G0B
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54614
PNG
(N,N-dimethyl-4-[2-(4-nitrophenyl)-5-phenyl-3,4-dih...)
Show SMILES CN(C)c1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C23H22N4O2/c1-25(2)19-10-8-18(9-11-19)23-16-22(17-6-4-3-5-7-17)24-26(23)20-12-14-21(15-13-20)27(28)29/h3-15,23H,16H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.04E+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/Q2959G0B
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54615
PNG
(2-(2-methylphenyl)-3-(3-nitrophenyl)-5-phenyl-3,4-...)
Show SMILES Cc1ccccc1[N+]1=N[C-](CC1c1cccc(c1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C22H19N3O2/c1-16-8-5-6-13-21(16)24-22(18-11-7-12-19(14-18)25(26)27)15-20(23-24)17-9-3-2-4-10-17/h2-14,22H,15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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/Q2959G0B
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54628
PNG
(3-(4-fluorophenyl)-5-(3-nitrophenyl)-1-phenyl-2-py...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1C[C-](N=[N+]1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN3O2/c22-17-11-9-15(10-12-17)20-14-21(16-5-4-8-19(13-16)25(26)27)24(23-20)18-6-2-1-3-7-18/h1-13,21H,14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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/Q2959G0B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54587
PNG
(1-(4-nitrophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)[N+]1=N[C-](CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-14,21H,15H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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/Q2QJ7FRJ
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54614
PNG
(N,N-dimethyl-4-[2-(4-nitrophenyl)-5-phenyl-3,4-dih...)
Show SMILES CN(C)c1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C23H22N4O2/c1-25(2)19-10-8-18(9-11-19)23-16-22(17-6-4-3-5-7-17)24-26(23)20-12-14-21(15-13-20)27(28)29/h3-15,23H,16H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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/Q2QJ7FRJ
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54615
PNG
(2-(2-methylphenyl)-3-(3-nitrophenyl)-5-phenyl-3,4-...)
Show SMILES Cc1ccccc1[N+]1=N[C-](CC1c1cccc(c1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C22H19N3O2/c1-16-8-5-6-13-21(16)24-22(18-11-7-12-19(14-18)25(26)27)15-20(23-24)17-9-3-2-4-10-17/h2-14,22H,15H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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/Q2QJ7FRJ
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54628
PNG
(3-(4-fluorophenyl)-5-(3-nitrophenyl)-1-phenyl-2-py...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1C[C-](N=[N+]1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN3O2/c22-17-11-9-15(10-12-17)20-14-21(16-5-4-8-19(13-16)25(26)27)24(23-20)18-6-2-1-3-7-18/h1-13,21H,14H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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/Q2QJ7FRJ
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54587
PNG
(1-(4-nitrophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)[N+]1=N[C-](CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-14,21H,15H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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/Q2G15Z8C
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54614
PNG
(N,N-dimethyl-4-[2-(4-nitrophenyl)-5-phenyl-3,4-dih...)
Show SMILES CN(C)c1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C23H22N4O2/c1-25(2)19-10-8-18(9-11-19)23-16-22(17-6-4-3-5-7-17)24-26(23)20-12-14-21(15-13-20)27(28)29/h3-15,23H,16H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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/Q2G15Z8C
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54615
PNG
(2-(2-methylphenyl)-3-(3-nitrophenyl)-5-phenyl-3,4-...)
Show SMILES Cc1ccccc1[N+]1=N[C-](CC1c1cccc(c1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C22H19N3O2/c1-16-8-5-6-13-21(16)24-22(18-11-7-12-19(14-18)25(26)27)15-20(23-24)17-9-3-2-4-10-17/h2-14,22H,15H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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/Q2G15Z8C
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54628
PNG
(3-(4-fluorophenyl)-5-(3-nitrophenyl)-1-phenyl-2-py...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1C[C-](N=[N+]1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN3O2/c22-17-11-9-15(10-12-17)20-14-21(16-5-4-8-19(13-16)25(26)27)24(23-20)18-6-2-1-3-7-18/h1-13,21H,14H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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/Q2G15Z8C
More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54587
PNG
(1-(4-nitrophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)[N+]1=N[C-](CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-14,21H,15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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/Q2MK6B9H
More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54614
PNG
(N,N-dimethyl-4-[2-(4-nitrophenyl)-5-phenyl-3,4-dih...)
Show SMILES CN(C)c1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C23H22N4O2/c1-25(2)19-10-8-18(9-11-19)23-16-22(17-6-4-3-5-7-17)24-26(23)20-12-14-21(15-13-20)27(28)29/h3-15,23H,16H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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/Q2MK6B9H
More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54615
PNG
(2-(2-methylphenyl)-3-(3-nitrophenyl)-5-phenyl-3,4-...)
Show SMILES Cc1ccccc1[N+]1=N[C-](CC1c1cccc(c1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C22H19N3O2/c1-16-8-5-6-13-21(16)24-22(18-11-7-12-19(14-18)25(26)27)15-20(23-24)17-9-3-2-4-10-17/h2-14,22H,15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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/Q2MK6B9H
More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54628
PNG
(3-(4-fluorophenyl)-5-(3-nitrophenyl)-1-phenyl-2-py...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1C[C-](N=[N+]1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN3O2/c22-17-11-9-15(10-12-17)20-14-21(16-5-4-8-19(13-16)25(26)27)24(23-20)18-6-2-1-3-7-18/h1-13,21H,14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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/Q2MK6B9H
More data for this
Ligand-Target Pair
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM54587
PNG
(1-(4-nitrophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)[N+]1=N[C-](CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-14,21H,15H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 300n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29Z93G0
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM54587
PNG
(1-(4-nitrophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)[N+]1=N[C-](CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-14,21H,15H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2668BRK
More data for this
Ligand-Target Pair
botulinum neurotoxin type F, BoNT/F


(Clostridium botulinum Bf)
BDBM54587
PNG
(1-(4-nitrophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)[N+]1=N[C-](CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-14,21H,15H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22F7M0T
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54587
PNG
(1-(4-nitrophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)[N+]1=N[C-](CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-14,21H,15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JC6
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54614
PNG
(N,N-dimethyl-4-[2-(4-nitrophenyl)-5-phenyl-3,4-dih...)
Show SMILES CN(C)c1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C23H22N4O2/c1-25(2)19-10-8-18(9-11-19)23-16-22(17-6-4-3-5-7-17)24-26(23)20-12-14-21(15-13-20)27(28)29/h3-15,23H,16H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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 (2016)


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