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4 similar compounds to monomer 46955

Compile data set for download or QSAR
Wt: 391.5
BDBM50001414
Wt: 315.4
BDBM50001421
Wt: 309.4
BDBM50298424
Wt: 315.4
BDBM50435874
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50001414,50001421,50298424,50435874   
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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50435874
PNG
(CHEMBL2391073)
Show SMILES O=S(=O)(N1CCC(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C18H21NO2S/c20-22(21,18-9-5-2-6-10-18)19-13-11-17(12-14-19)15-16-7-3-1-4-8-16/h1-10,17H,11-15H2
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PubMed
24n/an/an/an/an/an/an/an/a



NSTRI

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting a...


Eur J Med Chem 64: 488-97 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.013
BindingDB Entry DOI: 10.7270/Q2WM1FTD
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50001421
PNG
(4-Phenyl-1-(toluene-4-sulfonyl)-piperidine | CHEMB...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C18H21NO2S/c1-15-7-9-18(10-8-15)22(20,21)19-13-11-17(12-14-19)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


J Med Chem 35: 3919-27 (1992)


Article DOI: 10.1021/jm00099a020
BindingDB Entry DOI: 10.7270/Q2N015G7
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50298424
PNG
(1-(4-tert-butyl benzene)-sulfonyl-cis-2,6-dimethyl...)
Show SMILES C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C17H27NO2S/c1-13-7-6-8-14(2)18(13)21(19,20)16-11-9-15(10-12-16)17(3,4)5/h9-14H,6-8H2,1-5H3/t13-,14+
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n/an/a 458n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of human serum AChE by Ellman's assay


Eur J Med Chem 44: 4057-62 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.042
BindingDB Entry DOI: 10.7270/Q2MK6CZF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50298424
PNG
(1-(4-tert-butyl benzene)-sulfonyl-cis-2,6-dimethyl...)
Show SMILES C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C17H27NO2S/c1-13-7-6-8-14(2)18(13)21(19,20)16-11-9-15(10-12-16)17(3,4)5/h9-14H,6-8H2,1-5H3/t13-,14+
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n/an/a 450n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Eur J Med Chem 44: 4057-62 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.042
BindingDB Entry DOI: 10.7270/Q2MK6CZF
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50001414
PNG
(4,4-Diphenyl-1-(toluene-4-sulfonyl)-piperidine | C...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2S/c1-20-12-14-23(15-13-20)28(26,27)25-18-16-24(17-19-25,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15H,16-19H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


J Med Chem 35: 3919-27 (1992)


Article DOI: 10.1021/jm00099a020
BindingDB Entry DOI: 10.7270/Q2N015G7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50298424
PNG
(1-(4-tert-butyl benzene)-sulfonyl-cis-2,6-dimethyl...)
Show SMILES C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C17H27NO2S/c1-13-7-6-8-14(2)18(13)21(19,20)16-11-9-15(10-12-16)17(3,4)5/h9-14H,6-8H2,1-5H3/t13-,14+
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Article
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n/an/a 463n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain homogenate AChE by Ellman's assay


Eur J Med Chem 44: 4057-62 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.042
BindingDB Entry DOI: 10.7270/Q2MK6CZF
More data for this
Ligand-Target Pair