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BDBM81780 CAS_6438382::NSC_6438382::SR 46349B

SMILES: CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F

InChI Key: InChIKey=VAIOZOCLKVMIMN-UHFFFAOYSA-N

Data: 27 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 27 hits for monomerid = 81780   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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0.951n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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5.80n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 759-68 (1992)


BindingDB Entry DOI: 10.7270/Q27S7M7Z
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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8.24n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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120n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 759-68 (1992)


BindingDB Entry DOI: 10.7270/Q27S7M7Z
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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726n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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733n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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740n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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914n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 759-68 (1992)


BindingDB Entry DOI: 10.7270/Q27S7M7Z
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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1.75E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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2.12E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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2.39E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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2.50E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
CHRM5


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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3.02E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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3.40E+3n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 759-68 (1992)


BindingDB Entry DOI: 10.7270/Q27S7M7Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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3.67E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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3.87E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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5.00E+3n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 759-68 (1992)


BindingDB Entry DOI: 10.7270/Q27S7M7Z
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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5.62E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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9.00E+3n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 759-68 (1992)


BindingDB Entry DOI: 10.7270/Q27S7M7Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 759-68 (1992)


BindingDB Entry DOI: 10.7270/Q27S7M7Z
More data for this
Ligand-Target Pair
HTR1D


(Bos taurus (Bovine))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 759-68 (1992)


BindingDB Entry DOI: 10.7270/Q27S7M7Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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UniChem
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
PDB

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UniChem
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>1.00E+4n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 759-68 (1992)


BindingDB Entry DOI: 10.7270/Q27S7M7Z
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
PDB

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UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 759-68 (1992)


BindingDB Entry DOI: 10.7270/Q27S7M7Z
More data for this
Ligand-Target Pair