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BDBM50172598 CHEMBL197781::N-(4-[({4-tert-Butylbenzyl}aminocarboyl)-amino]methyl-2-fluorophenyl)methanesulfonamide::N-{4-[3-(4-tert-Butyl-benzyl)-ureidomethyl]-2-fluoro-phenyl}-methanesulfonamide

SMILES: CC(C)(C)c1ccc(CNC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1

InChI Key: InChIKey=IBQOBNDLECMLEW-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50172598   
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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50172598
PNG
(CHEMBL197781 | N-(4-[({4-tert-Butylbenzyl}aminocar...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O3S/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(25)23-13-15-7-10-18(17(21)11-15)24-28(4,26)27/h5-11,24H,12-13H2,1-4H3,(H2,22,23,25)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 710n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50172598
PNG
(CHEMBL197781 | N-(4-[({4-tert-Butylbenzyl}aminocar...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O3S/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(25)23-13-15-7-10-18(17(21)11-15)24-28(4,26)27/h5-11,24H,12-13H2,1-4H3,(H2,22,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair