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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50160039'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50160039
PNG
(CHEMBL183752 | N-(4-tert-Butyl-phenyl)-4-(3-chloro...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2Cl)cc1
Show InChI InChI=1S/C22H21ClN2O/c1-22(2,3)17-10-12-18(13-11-17)25-21(26)16-8-6-15(7-9-16)20-19(23)5-4-14-24-20/h4-14H,1-3H3,(H,25,26)
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n/an/a 2n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against low pH(5.0-5.5)-activated rat VR1


Bioorg Med Chem Lett 16: 5217-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.010
BindingDB Entry DOI: 10.7270/Q2XP74KT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50160039
PNG
(CHEMBL183752 | N-(4-tert-Butyl-phenyl)-4-(3-chloro...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2Cl)cc1
Show InChI InChI=1S/C22H21ClN2O/c1-22(2,3)17-10-12-18(13-11-17)25-21(26)16-8-6-15(7-9-16)20-19(23)5-4-14-24-20/h4-14H,1-3H3,(H,25,26)
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n/an/a 8n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-activated human VR1 by FLIPR assay


Bioorg Med Chem Lett 16: 5217-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.010
BindingDB Entry DOI: 10.7270/Q2XP74KT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50160039
PNG
(CHEMBL183752 | N-(4-tert-Butyl-phenyl)-4-(3-chloro...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2Cl)cc1
Show InChI InChI=1S/C22H21ClN2O/c1-22(2,3)17-10-12-18(13-11-17)25-21(26)16-8-6-15(7-9-16)20-19(23)5-4-14-24-20/h4-14H,1-3H3,(H,25,26)
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n/an/a 37n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor


Bioorg Med Chem Lett 17: 6079-85 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.053
BindingDB Entry DOI: 10.7270/Q21V5DQT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50160039
PNG
(CHEMBL183752 | N-(4-tert-Butyl-phenyl)-4-(3-chloro...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2Cl)cc1
Show InChI InChI=1S/C22H21ClN2O/c1-22(2,3)17-10-12-18(13-11-17)25-21(26)16-8-6-15(7-9-16)20-19(23)5-4-14-24-20/h4-14H,1-3H3,(H,25,26)
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n/an/a 55n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonistic activity on VR1 receptor in [Ca2+] influx assay in rat dorsal root ganglion


Bioorg Med Chem Lett 15: 631-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.033
BindingDB Entry DOI: 10.7270/Q25T3JZR
More data for this
Ligand-Target Pair