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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heat sensitive channel TRPV3' and Ligand = 'BDBM50197966'   
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
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197966
PNG
(CHEMBL3959869)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(=O)c1ccccc1 |r,t:14,19|
Show InChI InChI=1S/C27H38O3/c1-20(2)27-17-16-22(4)11-9-10-21(3)14-15-24(26(5,30-27)18-19-27)29-25(28)23-12-7-6-8-13-23/h6-8,10,12-13,16,20,24H,9,11,14-15,17-19H2,1-5H3/b21-10+,22-16+/t24-,26+,27+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV3 overexpressed in HEK293 cells assessed as inhibition of thymol-induced increase in intracellular Ca2+ levels preincu...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197966
PNG
(CHEMBL3959869)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(=O)c1ccccc1 |r,t:14,19|
Show InChI InChI=1S/C27H38O3/c1-20(2)27-17-16-22(4)11-9-10-21(3)14-15-24(26(5,30-27)18-19-27)29-25(28)23-12-7-6-8-13-23/h6-8,10,12-13,16,20,24H,9,11,14-15,17-19H2,1-5H3/b21-10+,22-16+/t24-,26+,27+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.40E+3n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of rat TRPV3 overexpressed in HEK293 cells assessed as increase in 2-aminoethoxydiphenyl borate-induced intracellular calcium concentratio...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair