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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50191708'   
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))
BDBM50191708
PNG
(CHEMBL386251 | N-(4-tert-butylphenyl)-4-(3-(ethyls...)
Show SMILES CCS(=O)(=O)Nc1cccnc1-c1ccc(cc1)C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C24H27N3O3S/c1-5-31(29,30)27-21-7-6-16-25-22(21)17-8-10-18(11-9-17)23(28)26-20-14-12-19(13-15-20)24(2,3)4/h6-16,27H,5H2,1-4H3,(H,26,28)
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Article
PubMed
n/an/a 4n/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))
BDBM50191708
PNG
(CHEMBL386251 | N-(4-tert-butylphenyl)-4-(3-(ethyls...)
Show SMILES CCS(=O)(=O)Nc1cccnc1-c1ccc(cc1)C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C24H27N3O3S/c1-5-31(29,30)27-21-7-6-16-25-22(21)17-8-10-18(11-9-17)23(28)26-20-14-12-19(13-15-20)24(2,3)4/h6-16,27H,5H2,1-4H3,(H,26,28)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 49n/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