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4 similar compounds to monomer 1795

Compile data set for download or QSAR
Wt: 421.5
BDBM43250
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Wt: 393.4
BDBM51338
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Wt: 393.4
BDBM66452
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Wt: 407.5
BDBM96108
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 43250,51338,66452,96108   
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 protein


(Homo sapiens (Human))
BDBM43250
PNG
(MLS000680398 | N-[3-[1-esyl-5-(p-tolyl)-2-pyrazoli...)
Show SMILES CCS(=O)(=O)N1N=C(CC1c1ccc(C)cc1)c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C19H23N3O4S2/c1-4-28(25,26)22-19(15-10-8-14(2)9-11-15)13-18(20-22)16-6-5-7-17(12-16)21-27(3,23)24/h5-12,19,21H,4,13H2,1-3H3
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 2.61E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2XS5SSN
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM43250
PNG
(MLS000680398 | N-[3-[1-esyl-5-(p-tolyl)-2-pyrazoli...)
Show SMILES CCS(=O)(=O)N1N=C(CC1c1ccc(C)cc1)c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C19H23N3O4S2/c1-4-28(25,26)22-19(15-10-8-14(2)9-11-15)13-18(20-22)16-6-5-7-17(12-16)21-27(3,23)24/h5-12,19,21H,4,13H2,1-3H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 2.67E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2T15221
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphate aldolase (FBA)


(Mycobacterium tuberculosis (strain H37Rv))
BDBM96108
PNG
(MLS000697182 | N-[4-(1-esyl-5-phenyl-2-pyrazolin-3...)
Show SMILES CCS(=O)(=O)N1N=C(CC1c1ccccc1)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C18H21N3O4S2/c1-3-27(24,25)21-18(15-7-5-4-6-8-15)13-17(19-21)14-9-11-16(12-10-14)20-26(2,22)23/h4-12,18,20H,3,13H2,1-2H3
PDB

UniProtKB/SwissProt

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PCBioAssay
n/an/a>370n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q25719N6
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66452
PNG
(MLS000697192 | N-[4-(1-mesyl-5-phenyl-2-pyrazolin-...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C1=NN(C(C1)c1ccccc1)S(C)(=O)=O
Show InChI InChI=1S/C17H19N3O4S2/c1-25(21,22)19-15-10-8-13(9-11-15)16-12-17(14-6-4-3-5-7-14)20(18-16)26(2,23)24/h3-11,17,19H,12H2,1-2H3
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PCBioAssay
n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))
BDBM51338
PNG
(MLS000680413 | N-[3-(1-mesyl-5-phenyl-2-pyrazolin-...)
Show SMILES CS(=O)(=O)Nc1cccc(c1)C1=NN(C(C1)c1ccccc1)S(C)(=O)=O
Show InChI InChI=1S/C17H19N3O4S2/c1-25(21,22)19-15-10-6-9-14(11-15)16-12-17(13-7-4-3-5-8-13)20(18-16)26(2,23)24/h3-11,17,19H,12H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 5.30E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QN6558
More data for this
Ligand-Target Pair