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PubMed code 12649361

Compile Data Set for Download or QSAR

Found 779 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50004051
PNG
(2-Amino-4-phosphono-butyric acid | 2-Amino-4-phosp...)
Show SMILES NC(CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
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PubMed
398n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Rattus norvegicus (Rat))
BDBM50004051
PNG
(2-Amino-4-phosphono-butyric acid | 2-Amino-4-phosp...)
Show SMILES NC(CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
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398n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Rattus norvegicus (Rat))
BDBM50004051
PNG
(2-Amino-4-phosphono-butyric acid | 2-Amino-4-phosp...)
Show SMILES NC(CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
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PubMed
1.26E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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PubMed
1.26E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM86199
PNG
(CAS_595 | CAS_67678 | D-cystine | L-cystine | NSC_...)
Show SMILES NC(CSSCC(N)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
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3.24E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM86201
PNG
(L-homocysteine sulfinic acid)
Show SMILES N[C@@H](CCS(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1
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5.75E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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PubMed
6.03E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Rattus norvegicus (Rat))
BDBM86201
PNG
(L-homocysteine sulfinic acid)
Show SMILES N[C@@H](CCS(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1
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6.17E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50220147
PNG
((S)-2-amino-4-sulfobutanoic acid | CHEMBL230951 | ...)
Show SMILES N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1
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6.31E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Rattus norvegicus (Rat))
BDBM50220147
PNG
((S)-2-amino-4-sulfobutanoic acid | CHEMBL230951 | ...)
Show SMILES N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1
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7.94E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM86199
PNG
(CAS_595 | CAS_67678 | D-cystine | L-cystine | NSC_...)
Show SMILES NC(CSSCC(N)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM86199
PNG
(CAS_595 | CAS_67678 | D-cystine | L-cystine | NSC_...)
Show SMILES NC(CSSCC(N)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM86199
PNG
(CAS_595 | CAS_67678 | D-cystine | L-cystine | NSC_...)
Show SMILES NC(CSSCC(N)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM86199
PNG
(CAS_595 | CAS_67678 | D-cystine | L-cystine | NSC_...)
Show SMILES NC(CSSCC(N)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM86201
PNG
(L-homocysteine sulfinic acid)
Show SMILES N[C@@H](CCS(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM86196
PNG
(D-homocysteic acid)
Show SMILES N[C@H](CCS(O)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM86202
PNG
(CAS_778 | DL-homocysteine | NSC_778)
Show SMILES NC(CCS)C(O)=O
Show InChI InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM86196
PNG
(D-homocysteic acid)
Show SMILES N[C@H](CCS(O)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM86203
PNG
(CAS_5862 | L-cysteine | NSC_5862)
Show SMILES NC(CS)C(O)=O
Show InChI InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM86198
PNG
(CAS_134505 | L-homocysteine thiolactone | NSC_1345...)
Show SMILES N[C@H]1CCSC1=O |r|
Show InChI InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM86194
PNG
(CAS_109 | L-cysteine sulfinic acid | NSC_109)
Show SMILES NC(CS(O)=O)C(O)=O
Show InChI InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM86205
PNG
(D-homocysteine thiolactone)
Show SMILES N[C@@H]1CCSC1=O |r|
Show InChI InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM86195
PNG
(CAS_6137 | CAS_84815 | D-methionine | L-methionine...)
Show SMILES CSCCC(N)C(O)=O
Show InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50220147
PNG
((S)-2-amino-4-sulfobutanoic acid | CHEMBL230951 | ...)
Show SMILES N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM86195
PNG
(CAS_6137 | CAS_84815 | D-methionine | L-methionine...)
Show SMILES CSCCC(N)C(O)=O
Show InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM86199
PNG
(CAS_595 | CAS_67678 | D-cystine | L-cystine | NSC_...)
Show SMILES NC(CSSCC(N)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50164447
PNG
(2-amino-4-sulfobutanoic acid | CHEMBL191727 | DL-h...)
Show SMILES NC(CCS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50164447
PNG
(2-amino-4-sulfobutanoic acid | CHEMBL191727 | DL-h...)
Show SMILES NC(CCS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM86195
PNG
(CAS_6137 | CAS_84815 | D-methionine | L-methionine...)
Show SMILES CSCCC(N)C(O)=O
Show InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM86197
PNG
(D-homocysteine sulfinic acid)
Show SMILES N[C@H](CCS(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM86202
PNG
(CAS_778 | DL-homocysteine | NSC_778)
Show SMILES NC(CCS)C(O)=O
Show InChI InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM86197
PNG
(D-homocysteine sulfinic acid)
Show SMILES N[C@H](CCS(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM86197
PNG
(D-homocysteine sulfinic acid)
Show SMILES N[C@H](CCS(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50164447
PNG
(2-amino-4-sulfobutanoic acid | CHEMBL191727 | DL-h...)
Show SMILES NC(CCS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM86194
PNG
(CAS_109 | L-cysteine sulfinic acid | NSC_109)
Show SMILES NC(CS(O)=O)C(O)=O
Show InChI InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM86195
PNG
(CAS_6137 | CAS_84815 | D-methionine | L-methionine...)
Show SMILES CSCCC(N)C(O)=O
Show InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM86196
PNG
(D-homocysteic acid)
Show SMILES N[C@H](CCS(O)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM86196
PNG
(D-homocysteic acid)
Show SMILES N[C@H](CCS(O)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM86203
PNG
(CAS_5862 | L-cysteine | NSC_5862)
Show SMILES NC(CS)C(O)=O
Show InChI InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM86194
PNG
(CAS_109 | L-cysteine sulfinic acid | NSC_109)
Show SMILES NC(CS(O)=O)C(O)=O
Show InChI InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM86195
PNG
(CAS_6137 | CAS_84815 | D-methionine | L-methionine...)
Show SMILES CSCCC(N)C(O)=O
Show InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM85473
PNG
(L-Cysteic acid, 8 | L-cysteic acid)
Show SMILES NC(CS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM86201
PNG
(L-homocysteine sulfinic acid)
Show SMILES N[C@@H](CCS(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)
BDBM50164447
PNG
(2-amino-4-sulfobutanoic acid | CHEMBL191727 | DL-h...)
Show SMILES NC(CCS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)
BDBM86199
PNG
(CAS_595 | CAS_67678 | D-cystine | L-cystine | NSC_...)
Show SMILES NC(CSSCC(N)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM86197
PNG
(D-homocysteine sulfinic acid)
Show SMILES N[C@H](CCS(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM86195
PNG
(CAS_6137 | CAS_84815 | D-methionine | L-methionine...)
Show SMILES CSCCC(N)C(O)=O
Show InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM86198
PNG
(CAS_134505 | L-homocysteine thiolactone | NSC_1345...)
Show SMILES N[C@H]1CCSC1=O |r|
Show InChI InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM86195
PNG
(CAS_6137 | CAS_84815 | D-methionine | L-methionine...)
Show SMILES CSCCC(N)C(O)=O
Show InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM86201
PNG
(L-homocysteine sulfinic acid)
Show SMILES N[C@@H](CCS(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%