new BindingDB logo
myBDB logout

BDBM176565 US9120756, 27

SMILES: COc1cc(ccc1NS(C)(=O)=O)C(C)C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C

InChI Key: InChIKey=VPVQGKJHURIMIH-UHFFFAOYNA-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 = 176565   
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))
BDBM176565
PNG
(US9120756, 27)
Show SMILES COc1cc(ccc1NS(C)(=O)=O)C(C)C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C
Show InChI InChI=1/C25H31ClN4O4S/c1-16(17-10-11-21(22(12-17)34-5)29-35(6,32)33)24(31)27-15-20-14-23(25(2,3)4)28-30(20)19-9-7-8-18(26)13-19/h7-14,16,29H,15H2,1-6H3,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.20n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...


US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM176565
PNG
(US9120756, 27)
Show SMILES COc1cc(ccc1NS(C)(=O)=O)C(C)C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C
Show InChI InChI=1/C25H31ClN4O4S/c1-16(17-10-11-21(22(12-17)34-5)29-35(6,32)33)24(31)27-15-20-14-23(25(2,3)4)28-30(20)19-9-7-8-18(26)13-19/h7-14,16,29H,15H2,1-6H3,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.20 -12.3n/an/an/an/an/an/a37



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the vanilloid receptor 1 (VR1) can also be determined using the following assa...


US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair