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Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'sevrin' and Initial = 'm'   
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-5


(RAT)
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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0.810n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
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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1.39n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1


(Rattus norvegicus (Rat))
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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1.52n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
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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1.52n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
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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1.79n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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4.80n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1


(Rattus norvegicus (Rat))
BDBM85806
PNG
(6-FLUOR-2-FENYL-9-METHYL-4-(PYRROLIDINE-1-CARBONYL...)
Show SMILES Cn1c2ccc(F)cc2c2c(cn(-c3ccccc3)c(=O)c12)C(=O)N1CCCC1
Show InChI InChI=1S/C23H20FN3O2/c1-25-19-10-9-15(24)13-17(19)20-18(22(28)26-11-5-6-12-26)14-27(23(29)21(20)25)16-7-3-2-4-8-16/h2-4,7-10,13-14H,5-6,11-12H2,1H3
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6.80n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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7.80n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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9.80n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM85806
PNG
(6-FLUOR-2-FENYL-9-METHYL-4-(PYRROLIDINE-1-CARBONYL...)
Show SMILES Cn1c2ccc(F)cc2c2c(cn(-c3ccccc3)c(=O)c12)C(=O)N1CCCC1
Show InChI InChI=1S/C23H20FN3O2/c1-25-19-10-9-15(24)13-17(19)20-18(22(28)26-11-5-6-12-26)14-27(23(29)21(20)25)16-7-3-2-4-8-16/h2-4,7-10,13-14H,5-6,11-12H2,1H3
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12.3n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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13.4n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3


(RAT)
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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13.9n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Rattus norvegicus (Rat))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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14n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1


(Rattus norvegicus (Rat))
BDBM85806
PNG
(6-FLUOR-2-FENYL-9-METHYL-4-(PYRROLIDINE-1-CARBONYL...)
Show SMILES Cn1c2ccc(F)cc2c2c(cn(-c3ccccc3)c(=O)c12)C(=O)N1CCCC1
Show InChI InChI=1S/C23H20FN3O2/c1-25-19-10-9-15(24)13-17(19)20-18(22(28)26-11-5-6-12-26)14-27(23(29)21(20)25)16-7-3-2-4-8-16/h2-4,7-10,13-14H,5-6,11-12H2,1H3
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17n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Rattus norvegicus (Rat))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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29.6n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM85806
PNG
(6-FLUOR-2-FENYL-9-METHYL-4-(PYRROLIDINE-1-CARBONYL...)
Show SMILES Cn1c2ccc(F)cc2c2c(cn(-c3ccccc3)c(=O)c12)C(=O)N1CCCC1
Show InChI InChI=1S/C23H20FN3O2/c1-25-19-10-9-15(24)13-17(19)20-18(22(28)26-11-5-6-12-26)14-27(23(29)21(20)25)16-7-3-2-4-8-16/h2-4,7-10,13-14H,5-6,11-12H2,1H3
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73n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(RAT)
BDBM85806
PNG
(6-FLUOR-2-FENYL-9-METHYL-4-(PYRROLIDINE-1-CARBONYL...)
Show SMILES Cn1c2ccc(F)cc2c2c(cn(-c3ccccc3)c(=O)c12)C(=O)N1CCCC1
Show InChI InChI=1S/C23H20FN3O2/c1-25-19-10-9-15(24)13-17(19)20-18(22(28)26-11-5-6-12-26)14-27(23(29)21(20)25)16-7-3-2-4-8-16/h2-4,7-10,13-14H,5-6,11-12H2,1H3
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80.3n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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105n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM85806
PNG
(6-FLUOR-2-FENYL-9-METHYL-4-(PYRROLIDINE-1-CARBONYL...)
Show SMILES Cn1c2ccc(F)cc2c2c(cn(-c3ccccc3)c(=O)c12)C(=O)N1CCCC1
Show InChI InChI=1S/C23H20FN3O2/c1-25-19-10-9-15(24)13-17(19)20-18(22(28)26-11-5-6-12-26)14-27(23(29)21(20)25)16-7-3-2-4-8-16/h2-4,7-10,13-14H,5-6,11-12H2,1H3
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117n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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127n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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157n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM85806
PNG
(6-FLUOR-2-FENYL-9-METHYL-4-(PYRROLIDINE-1-CARBONYL...)
Show SMILES Cn1c2ccc(F)cc2c2c(cn(-c3ccccc3)c(=O)c12)C(=O)N1CCCC1
Show InChI InChI=1S/C23H20FN3O2/c1-25-19-10-9-15(24)13-17(19)20-18(22(28)26-11-5-6-12-26)14-27(23(29)21(20)25)16-7-3-2-4-8-16/h2-4,7-10,13-14H,5-6,11-12H2,1H3
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215n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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333n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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447n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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829n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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3.82E+3n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50290077
PNG
(CHEMBL73416 | N-[2-(4-Chloro-phenyl)-imidazo[1,2-a...)
Show SMILES CCCC(=O)N(C)Cc1c(nc2ccccn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETB receptors)


Bioorg Med Chem Lett 7: 2277-2282 (1997)


Article DOI: 10.1016/S0960-894X(97)00404-6
BindingDB Entry DOI: 10.7270/Q2BK1CB0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50290077
PNG
(CHEMBL73416 | N-[2-(4-Chloro-phenyl)-imidazo[1,2-a...)
Show SMILES CCCC(=O)N(C)Cc1c(nc2ccccn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro functional inhibitory potency for prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)


Bioorg Med Chem Lett 7: 2277-2282 (1997)


Article DOI: 10.1016/S0960-894X(97)00404-6
BindingDB Entry DOI: 10.7270/Q2BK1CB0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50290077
PNG
(CHEMBL73416 | N-[2-(4-Chloro-phenyl)-imidazo[1,2-a...)
Show SMILES CCCC(=O)N(C)Cc1c(nc2ccccn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3
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n/an/a 2.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Receptor binding affinity was determined in a radioligand binding assay against [125I]ET1 with recombinant human ETA receptor, expressed in baculovir...


Bioorg Med Chem Lett 7: 2277-2282 (1997)


Article DOI: 10.1016/S0960-894X(97)00404-6
BindingDB Entry DOI: 10.7270/Q2BK1CB0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50290077
PNG
(CHEMBL73416 | N-[2-(4-Chloro-phenyl)-imidazo[1,2-a...)
Show SMILES CCCC(=O)N(C)Cc1c(nc2ccccn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3
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n/an/a 4.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Flumazenil binding to recombinant GABA-A receptor alpha-5 subunit in spinal cord


Bioorg Med Chem Lett 7: 2277-2282 (1997)


Article DOI: 10.1016/S0960-894X(97)00404-6
BindingDB Entry DOI: 10.7270/Q2BK1CB0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Flumazenil binding to recombinant GABA-A receptor alpha-1 subunit in cerebellum


Bioorg Med Chem Lett 7: 2277-2282 (1997)


Article DOI: 10.1016/S0960-894X(97)00404-6
BindingDB Entry DOI: 10.7270/Q2BK1CB0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro functional inhibitory potency for prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)


Bioorg Med Chem Lett 7: 2277-2282 (1997)


Article DOI: 10.1016/S0960-894X(97)00404-6
BindingDB Entry DOI: 10.7270/Q2BK1CB0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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n/an/a 130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro functional inhibitory potency for prevention of sarafotoxin S6c induced constriction of rat tracheal rings (ETB r...


Bioorg Med Chem Lett 7: 2277-2282 (1997)


Article DOI: 10.1016/S0960-894X(97)00404-6
BindingDB Entry DOI: 10.7270/Q2BK1CB0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)