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BDBM82302 5-BENZYLOXYTRYPTAMINE::5-BZT::CAS_20776-45-8::CHEMBL1288652

SMILES: NCCc1c[nH]c2ccc(OCc3ccccc3)cc12

InChI Key: InChIKey=WKPDXBXNJWWWGQ-UHFFFAOYSA-N

Data: 4 KI  5 IC50

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 9 hits for monomerid = 82302   
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
HTR7


(GUINEA PIG)
BDBM82302
PNG
(5-BENZYLOXYTRYPTAMINE | 5-BZT | CAS_20776-45-8 | C...)
Show SMILES NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
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257n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 107-16 (1995)


BindingDB Entry DOI: 10.7270/Q2610XTR
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM82302
PNG
(5-BENZYLOXYTRYPTAMINE | 5-BZT | CAS_20776-45-8 | C...)
Show SMILES NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
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110n/an/an/an/an/an/an/an/a



National Institute of Neurological Disorders and Stroke

Curated by PDSP Ki Database




Mol Pharmacol 43: 320-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ST7NCG
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM82302
PNG
(5-BENZYLOXYTRYPTAMINE | 5-BZT | CAS_20776-45-8 | C...)
Show SMILES NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
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110n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM82302
PNG
(5-BENZYLOXYTRYPTAMINE | 5-BZT | CAS_20776-45-8 | C...)
Show SMILES NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
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295n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20


BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (human))
BDBM82302
PNG
(5-BENZYLOXYTRYPTAMINE | 5-BZT | CAS_20776-45-8 | C...)
Show SMILES NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
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n/an/a 5.20E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human nonpancreatic secretory phospholipase A2 using 1,2-dimyristoyl-sn-glycero-3-phosphocholine as substrate after 10 mins by spectrop...


Eur J Med Chem 59: 160-7 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.057
BindingDB Entry DOI: 10.7270/Q27P90QH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM82302
PNG
(5-BENZYLOXYTRYPTAMINE | 5-BZT | CAS_20776-45-8 | C...)
Show SMILES NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
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n/an/a 660n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of icilin-induced 45calcium influx treated 5 mi...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM82302
PNG
(5-BENZYLOXYTRYPTAMINE | 5-BZT | CAS_20776-45-8 | C...)
Show SMILES NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human LTA4H epoxide hydrolase activity using LTA4 as substrate incubated for 15 mins prior to substrate addition measured after 10 mins...


Eur J Med Chem 59: 160-7 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.057
BindingDB Entry DOI: 10.7270/Q27P90QH
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM82302
PNG
(5-BENZYLOXYTRYPTAMINE | 5-BZT | CAS_20776-45-8 | C...)
Show SMILES NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human LTA4H aminopeptidase activity using Ala-p-nitroanilide as substrate incubated for 2 mins prior to substrate addition measured for...


Eur J Med Chem 59: 160-7 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.057
BindingDB Entry DOI: 10.7270/Q27P90QH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM82302
PNG
(5-BENZYLOXYTRYPTAMINE | 5-BZT | CAS_20776-45-8 | C...)
Show SMILES NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
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n/an/a 340n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of menthol-induced 45calcium influx treated 5 m...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair