BDBM50052442 (4-Hydroxy-3-methoxy-phenyl)-acetic acid (2R,3S,3aR,5R,5aR,8bR,11aR)-3b-benzyloxy-11a-hydroxy-5a-isopropenyl-2,4-dimethyl-1-oxo-1,3a,3b,4,5,5a,8a,8b,11,11a-decahydro-6,8-dioxa-indeno[5,4-e]azulen-10-ylmethyl ester::13-benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5-oxo-(1R,2S,6R,10S,11R,13S,15R,17R)-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-ylmethyl 2-(4-hydroxy-3-methoxyphenyl)acetate::13-benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5-oxo-(1R,2S,6R,10S,11R,15R,17R)-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-ylmethyl 2-(4-hydroxy-3-methoxyphenyl)acetate::13-benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5-oxo-(2S,6R,10S,11R,15R,17R)-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-ylmethyl 2-(4-hydroxy-3-methoxyphenyl)acetate::CHEMBL448382::RESINIFERATOXIN::Resiniferatoxin(RTX)::resinferatoxin

SMILES C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)Cc6ccc(c(c6)OC)O)O)C)O[C@](O3)(O2)Cc7ccccc7)C(=C)C

InChI Key InChIKey=DSDNAKHZNJAGHN-UHFFFAOYSA-N

Data  3 KI  1 IC50

PDB links: 28 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50052442   

TargetTransient receptor potential cation channel subfamily V member 1(Rat)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50052442(CHEMBL448382 | resinferatoxin | Resiniferatoxin(RT...)
Affinity DataIC50: 180nMAssay Description:Binding affinity to rat TRPV1More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTransient receptor potential cation channel subfamily V member 1(Rat)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50052442(CHEMBL448382 | resinferatoxin | Resiniferatoxin(RT...)
Affinity DataKi:  0.130nMAssay Description:In vitro binding to Rat Vanilloid receptor 1 (VR1) expressing CHO cells compared to capsaicinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTransient receptor potential cation channel subfamily V member 1(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50052442(CHEMBL448382 | resinferatoxin | Resiniferatoxin(RT...)
Affinity DataKi:  14nMAssay Description:Binding affinity to human recombinant TRPV1More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTransient receptor potential cation channel subfamily V member 1(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50052442(CHEMBL448382 | resinferatoxin | Resiniferatoxin(RT...)
Affinity DataKi:  23nMAssay Description:Displacement of [3H]RTX binding from vanilloid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2010
Entry Details Article
PDB3D3D Structure (crystal)