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BDBM50017592 CHEMBL3288624

SMILES: C[C@@H](NC(=S)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1)c1ccc(NS(C)(=O)=O)cc1

InChI Key: InChIKey=BVDOGTJSZAUADC-RLPQZEEVNA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50017592   
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))
BDBM50017592
PNG
(CHEMBL3288624)
Show SMILES C[C@@H](NC(=S)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1/C27H39N3O4S2/c1-18-8-9-21(14-19(18)2)15-22(17-34-25(31)27(4,5)6)16-28-26(35)29-20(3)23-10-12-24(13-11-23)30-36(7,32)33/h8-14,20,22,30H,15-17H2,1-7H3,(H2,28,29,35)/t20-,22?/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.10n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 after 60 mins by competitive binding assay


Bioorg Med Chem Lett 24: 2685-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.054
BindingDB Entry DOI: 10.7270/Q26111VT
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50017592
PNG
(CHEMBL3288624)
Show SMILES C[C@@H](NC(=S)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1/C27H39N3O4S2/c1-18-8-9-21(14-19(18)2)15-22(17-34-25(31)27(4,5)6)16-28-26(35)29-20(3)23-10-12-24(13-11-23)30-36(7,32)33/h8-14,20,22,30H,15-17H2,1-7H3,(H2,28,29,35)/t20-,22?/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.90n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 heterologously expressed in CHO cells assessed as inhibition of capsaicin-induced [45Ca2+] uptake by liquid scintill...


Bioorg Med Chem Lett 24: 2685-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.054
BindingDB Entry DOI: 10.7270/Q26111VT
More data for this
Ligand-Target Pair