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BDBM50196349 2-(3-(4-hydroxy-3-iodo-5-methoxybenzyl)thioureido)-4-(4-tert-butylphenyl)butyl pivalate::CHEMBL241690

SMILES: COc1cc(CNC(=S)NC(CCc2ccc(cc2)C(C)(C)C)COC(=O)C(C)(C)C)cc(I)c1O

InChI Key: InChIKey=GYFGVOFZCMUPMZ-UHFFFAOYNA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50196349   
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))
BDBM50196349
PNG
(2-(3-(4-hydroxy-3-iodo-5-methoxybenzyl)thioureido)...)
Show SMILES COc1cc(CNC(=S)NC(CCc2ccc(cc2)C(C)(C)C)COC(=O)C(C)(C)C)cc(I)c1O
Show InChI InChI=1/C28H39IN2O4S/c1-27(2,3)20-11-8-18(9-12-20)10-13-21(17-35-25(33)28(4,5)6)31-26(36)30-16-19-14-22(29)24(32)23(15-19)34-7/h8-9,11-12,14-15,21,32H,10,13,16-17H2,1-7H3,(H2,30,31,36)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
214n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 17: 214-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.059
BindingDB Entry DOI: 10.7270/Q27D2TSX
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50196349
PNG
(2-(3-(4-hydroxy-3-iodo-5-methoxybenzyl)thioureido)...)
Show SMILES COc1cc(CNC(=S)NC(CCc2ccc(cc2)C(C)(C)C)COC(=O)C(C)(C)C)cc(I)c1O
Show InChI InChI=1/C28H39IN2O4S/c1-27(2,3)20-11-8-18(9-12-20)10-13-21(17-35-25(33)28(4,5)6)31-26(36)30-16-19-14-22(29)24(32)23(15-19)34-7/h8-9,11-12,14-15,21,32H,10,13,16-17H2,1-7H3,(H2,30,31,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
525n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 17: 214-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.059
BindingDB Entry DOI: 10.7270/Q27D2TSX
More data for this
Ligand-Target Pair