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Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 5038   
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
Gamma-aminobutyric acid receptor subunit alpha-4


(Homo sapiens (Human))
BDBM26267
PNG
(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-]
Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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2.62n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4


(Homo sapiens (Human))
BDBM84956
PNG
(2-(4-Methoxy-phenyl)-2,5-dihydro-pyrazolo[4,3-c]qu...)
Show SMILES COc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O
Show InChI InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,19H,1H3
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6.80n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6


(Homo sapiens (Human))
BDBM26267
PNG
(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-]
Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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11.7n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4


(Homo sapiens (Human))
BDBM81951
PNG
(CAS_104999 | DMCM | NSC_104999)
Show SMILES CCc1c(ncc2[nH]c3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3
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14.1n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4


(Homo sapiens (Human))
BDBM84957
PNG
(CGS 9896 | CHEMBL20042)
Show SMILES Clc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O
Show InChI InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H
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35.6n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6


(Homo sapiens (Human))
BDBM84956
PNG
(2-(4-Methoxy-phenyl)-2,5-dihydro-pyrazolo[4,3-c]qu...)
Show SMILES COc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O
Show InChI InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,19H,1H3
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43.8n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50017320
PNG
(8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...)
Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21
Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3
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53.5n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6


(Homo sapiens (Human))
BDBM50017320
PNG
(8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...)
Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21
Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3
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54.9n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6


(Homo sapiens (Human))
BDBM81951
PNG
(CAS_104999 | DMCM | NSC_104999)
Show SMILES CCc1c(ncc2[nH]c3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3
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153n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4


(Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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174n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6


(Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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270n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6


(Homo sapiens (Human))
BDBM84957
PNG
(CGS 9896 | CHEMBL20042)
Show SMILES Clc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O
Show InChI InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H
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285n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4


(Homo sapiens (Human))
BDBM84955
PNG
(CAS_4375 | FG 7142 | NSC_4375)
Show SMILES CNC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H11N3O/c1-14-13(17)11-6-9-8-4-2-3-5-10(8)16-12(9)7-15-11/h2-7,16H,1H3,(H,14,17)
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300n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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310n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6


(Homo sapiens (Human))
BDBM84955
PNG
(CAS_4375 | FG 7142 | NSC_4375)
Show SMILES CNC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H11N3O/c1-14-13(17)11-6-9-8-4-2-3-5-10(8)16-12(9)7-15-11/h2-7,16H,1H3,(H,14,17)
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2.51E+3n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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3.26E+3n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6


(Homo sapiens (Human))
BDBM50244035
PNG
(Beta CCE | CHEMBL454606 | cid_105078 | ethyl 9H-py...)
Show SMILES CCOC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3
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4.46E+3n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair