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BDBM50333933 5-bromo-4-amino Resiniferatoxin::CHEMBL1644422

SMILES: COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Br)c1N

InChI Key: InChIKey=PGBHVCLKQUKOIS-ASPPJSJRSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50333933   
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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50333933
PNG
(5-bromo-4-amino Resiniferatoxin | CHEMBL1644422)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Br)c1N |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15|
Show InChI InChI=1S/C37H40BrNO8/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(40)15-24-13-27(38)31(39)28(14-24)43-5/h6-14,22,26,29,33,42H,1,15-19,39H2,2-5H3/t22-,26+,29-,33?,34-,35+,36?,37?/m1/s1
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.99n/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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50333933
PNG
(5-bromo-4-amino Resiniferatoxin | CHEMBL1644422)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Br)c1N |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15|
Show InChI InChI=1S/C37H40BrNO8/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(40)15-24-13-27(38)31(39)28(14-24)43-5/h6-14,22,26,29,33,42H,1,15-19,39H2,2-5H3/t22-,26+,29-,33?,34-,35+,36?,37?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.81n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as response to capsaicin-stimulated 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