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Compile Data Set for Download or QSAR

Found 12 hits of ki for drug = Alprazolam   
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-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50001728
PNG
(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
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0.600n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128637
BindingDB Entry DOI: 10.7270/Q24B35B0
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))
BDBM50001728
PNG
(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
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0.800n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128637
BindingDB Entry DOI: 10.7270/Q24B35B0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50001728
PNG
(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
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1.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128637
BindingDB Entry DOI: 10.7270/Q24B35B0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50001728
PNG
(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
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1.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128637
BindingDB Entry DOI: 10.7270/Q24B35B0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50001728
PNG
(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
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4.5n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 1154-60 (1991)


BindingDB Entry DOI: 10.7270/Q2125R4D
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50001728
PNG
(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
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5n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 1154-60 (1991)


BindingDB Entry DOI: 10.7270/Q2125R4D
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50001728
PNG
(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
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5.30n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 1154-60 (1991)


BindingDB Entry DOI: 10.7270/Q2125R4D
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50001728
PNG
(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
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6.70n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 1154-60 (1991)


BindingDB Entry DOI: 10.7270/Q2125R4D
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50001728
PNG
(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
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8n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 1154-60 (1991)


BindingDB Entry DOI: 10.7270/Q2125R4D
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Rattus norvegicus (Rat))
BDBM50001728
PNG
(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
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21n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 266: 1018-28 (1993)


BindingDB Entry DOI: 10.7270/Q2Q81BK1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1


(Rattus norvegicus (Rat))
BDBM50001728
PNG
(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
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65n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 266: 1018-28 (1993)


BindingDB Entry DOI: 10.7270/Q2Q81BK1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50001728
PNG
(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
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2.61E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Sante

Curated by PDSP Ki Database




J Pharmacol Exp Ther 252: 1221-7 (1990)


BindingDB Entry DOI: 10.7270/Q2JW8CC2
More data for this
Ligand-Target Pair