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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 = 'BDBM50333929'   
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))
BDBM50333929
PNG
(CHEMBL1644418 | [(2R,6R,10S,15S,17R)-13-benzyl-6-h...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)OC2[C@@H]2C=C(COC(=O)Cc4cc(Br)cc(Br)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)C12O3)C(C)=C |r,t:18,38,TLB:4:5:15:3.2.1,42:3:15:41.13.5,THB:4:3:15:41.13.5,0:1:15:41.13.5|
Show InChI InChI=1S/C36H36Br2O7/c1-20(2)34-16-22(4)36-28(32(34)43-35(44-34,45-36)18-23-8-6-5-7-9-23)13-25(17-33(41)29(36)10-21(3)31(33)40)19-42-30(39)14-24-11-26(37)15-27(38)12-24/h5-13,15,22,28-29,32,41H,1,14,16-19H2,2-4H3/t22-,28+,29-,32?,33-,34+,35?,36?/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay


Bioorg Med Chem Lett 21: 299-302 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50333929
PNG
(CHEMBL1644418 | [(2R,6R,10S,15S,17R)-13-benzyl-6-h...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)OC2[C@@H]2C=C(COC(=O)Cc4cc(Br)cc(Br)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)C12O3)C(C)=C |r,t:18,38,TLB:4:5:15:3.2.1,42:3:15:41.13.5,THB:4:3:15:41.13.5,0:1:15:41.13.5|
Show InChI InChI=1S/C36H36Br2O7/c1-20(2)34-16-22(4)36-28(32(34)43-35(44-34,45-36)18-23-8-6-5-7-9-23)13-25(17-33(41)29(36)10-21(3)31(33)40)19-42-30(39)14-24-11-26(37)15-27(38)12-24/h5-13,15,22,28-29,32,41H,1,14,16-19H2,2-4H3/t22-,28+,29-,32?,33-,34+,35?,36?/m1/s1
PDB
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UniChem

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Article
PubMed
n/an/an/an/a 1.07E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as 45Ca2+ uptake


Bioorg Med Chem Lett 21: 299-302 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB
More data for this
Ligand-Target Pair