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SMILES: CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccccc1F

InChI Key: InChIKey=UXOPJAPVVDVYHD-UHFFFAOYSA-N

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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 = 20577   
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))
BDBM20577
PNG
(N-{4-[(6-{4-[(1S)-1-(2-fluorophenyl)ethyl]piperazi...)
Show SMILES CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccccc1F
Show InChI InChI=1S/C25H25FN6O2S/c1-16(18-6-3-4-7-19(18)26)31-10-12-32(13-11-31)22-14-23(28-15-27-22)34-20-8-5-9-21-24(20)30-25(35-21)29-17(2)33/h3-9,14-16H,10-13H2,1-2H3,(H,29,30,33)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20577
PNG
(N-{4-[(6-{4-[(1S)-1-(2-fluorophenyl)ethyl]piperazi...)
Show SMILES CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccccc1F
Show InChI InChI=1S/C25H25FN6O2S/c1-16(18-6-3-4-7-19(18)26)31-10-12-32(13-11-31)22-14-23(28-15-27-22)34-20-8-5-9-21-24(20)30-25(35-21)29-17(2)33/h3-9,14-16H,10-13H2,1-2H3,(H,29,30,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/a7.422



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
More data for this
Ligand-Target Pair