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4 similar compounds to monomer 71353

Compile data set for download or QSAR
Wt: 306.3
BDBM34272
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Wt: 340.8
BDBM66746
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Wt: 502.6
BDBM71354
Wt: 559.0
BDBM71382

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 34272,66746,71354,71382   
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
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM34272
PNG
(MLS000082055 | N-(3-methylphenyl)-N-[(2-oxidanylid...)
Show SMILES CC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(C)c1
Show InChI InChI=1S/C19H18N2O2/c1-13-6-5-7-16(10-13)21(14(2)22)12-15-11-19(23)20-18-9-4-3-8-17(15)18/h3-11H,12H2,1-2H3,(H,20,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.08E+3n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D5W
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66746
PNG
(2-chloranyl-N-(4-methylphenyl)-N-[(2-oxidanylidene...)
Show SMILES Cc1ccc(cc1)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)CCl
Show InChI InChI=1S/C19H17ClN2O2/c1-13-6-8-15(9-7-13)22(19(24)11-20)12-14-10-18(23)21-17-5-3-2-4-16(14)17/h2-10H,11-12H2,1H3,(H,21,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

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
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71382
PNG
(US9546164, 441 | US9694002, 441)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(cc3Cl)S(C)(=O)=O)C2)cc1F
Show InChI InChI=1/C24H28ClFN2O6S2/c1-35(30,31)18-8-7-16(21(25)10-18)13-28-9-3-4-17(14-28)34-23-12-22(26)20(11-19(23)15-5-6-15)24(29)27-36(2,32)33/h7-8,10-12,15,17H,3-6,9,13-14H2,1-2H3,(H,27,29)/t17-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 138n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...


US Patent US9546164 (2017)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71382
PNG
(US9546164, 441 | US9694002, 441)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(cc3Cl)S(C)(=O)=O)C2)cc1F
Show InChI InChI=1/C24H28ClFN2O6S2/c1-35(30,31)18-8-7-16(21(25)10-18)13-28-9-3-4-17(14-28)34-23-12-22(26)20(11-19(23)15-5-6-15)24(29)27-36(2,32)33/h7-8,10-12,15,17H,3-6,9,13-14H2,1-2H3,(H,27,29)/t17-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 138n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71354
PNG
(US9546164, 425 | US9694002, 425)
Show SMILES CC(C)(C)c1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)cc1
Show InChI InChI=1/C27H35FN2O4S/c1-27(2,3)20-11-7-18(8-12-20)16-30-13-5-6-21(17-30)34-25-15-24(28)23(14-22(25)19-9-10-19)26(31)29-35(4,32)33/h7-8,11-12,14-15,19,21H,5-6,9-10,13,16-17H2,1-4H3,(H,29,31)/t21-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 2.90n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...


US Patent US9546164 (2017)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71354
PNG
(US9546164, 425 | US9694002, 425)
Show SMILES CC(C)(C)c1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)cc1
Show InChI InChI=1/C27H35FN2O4S/c1-27(2,3)20-11-7-18(8-12-20)16-30-13-5-6-21(17-30)34-25-15-24(28)23(14-22(25)19-9-10-19)26(31)29-35(4,32)33/h7-8,11-12,14-15,19,21H,5-6,9-10,13,16-17H2,1-4H3,(H,29,31)/t21-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.90n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair