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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Vanilloid VR1' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
Vanilloid VR1


(RAT)
BDBM86054
PNG
(5'-IODORESINIFERATOXIN | I-RTX)
Show SMILES COc1cc(CC(=O)OCC2=CC[C@H]3[C@@H](C=C(C)C3=O)[C@]34O[C@]5(Cc6ccccc6)O[C@H]([C@H]23)[C@](C[C@H]4C)(O5)C(C)=C)cc(I)c1O
Show InChI InChI=1S/C37H39IO8/c1-20(2)35-17-22(4)37-27-13-21(3)32(40)26(27)12-11-25(19-43-30(39)16-24-14-28(38)33(41)29(15-24)42-5)31(37)34(35)44-36(45-35,46-37)18-23-9-7-6-8-10-23/h6-11,13-15,22,26-27,31,34,41H,1,12,16-19H2,2-5H3/t22-,26+,27-,31+,34-,35-,36-,37+/m1/s1
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UniChem

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Article
PubMed
0.390n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by PDSP Ki Database




Citation and Details
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Ligand-Target Pair
Vanilloid VR1


(RAT)
BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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PC cid
PC sid
UniChem

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PubMed
9.20n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by PDSP Ki Database




Mol Pharmacol 62: 947-56 (2002)

More data for this
Ligand-Target Pair
Vanilloid VR1


(RAT)
BDBM20315
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H27N3O2S2/c1-20(2,3)17-9-5-15(6-10-17)13-21-19(26)22-14-16-7-11-18(12-8-16)23-27(4,24)25/h5-12,23H,13-14H2,1-4H3,(H2,21,22,26)
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PubMed
53.9n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by PDSP Ki Database




Mol Pharmacol 62: 947-56 (2002)

More data for this
Ligand-Target Pair
Vanilloid VR1


(RAT)
BDBM20284
PNG
(CHEMBL391997 | CPZ | Capsazepine | N-[2-(4-chlorop...)
Show SMILES Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
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PC cid
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PDB
UniChem

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Article
PubMed
4.30E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair