Found 15 hits Enz. Inhib. hit(s) with all data for entry = 5473 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM50001765
(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6| Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 311: 537-46 (2004)
Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM50001765
(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6| Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
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| Article
PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 311: 537-46 (2004)
Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM50001765
(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6| Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3 | PDB
UniProtKB/SwissProt
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| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 311: 537-46 (2004)
Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM50001765
(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6| Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3 | PDB
UniProtKB/SwissProt
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| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 311: 537-46 (2004)
Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM86522
(CAS_325715-02-4 | Indiplon)Show SMILES CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1 Show InChI InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3 | PDB
UniProtKB/SwissProt
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PC sid
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 311: 537-46 (2004)
Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM86522
(CAS_325715-02-4 | Indiplon)Show SMILES CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1 Show InChI InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3 | PDB
UniProtKB/SwissProt
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PC sid
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 311: 537-46 (2004)
Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM86522
(CAS_325715-02-4 | Indiplon)Show SMILES CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1 Show InChI InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3 | PDB
UniProtKB/SwissProt
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 311: 537-46 (2004)
Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM26266
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)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 | PDB
UniProtKB/SwissProt
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| PDB
Article
PubMed
| 10.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 311: 537-46 (2004)
Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM26266
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)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 | PDB
UniProtKB/SwissProt
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| PDB
Article
PubMed
| 11.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 311: 537-46 (2004)
Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM26266
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)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 | PDB
UniProtKB/SwissProt
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| PDB
Article
PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 311: 537-46 (2004)
Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM26266
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)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 | PDB
UniProtKB/SwissProt
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| PDB
Article
PubMed
| 13.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 311: 537-46 (2004)
Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM86521
(CAS_5719 | NSC_5719 | Zaleplon)Show InChI InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3 | PDB
UniProtKB/SwissProt
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| 45.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 311: 537-46 (2004)
Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM86521
(CAS_5719 | NSC_5719 | Zaleplon)Show InChI InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3 | PDB
UniProtKB/SwissProt
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| 59.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 311: 537-46 (2004)
Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM86521
(CAS_5719 | NSC_5719 | Zaleplon)Show InChI InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3 | PDB
UniProtKB/SwissProt
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PubMed
| 68.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 311: 537-46 (2004)
Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM86521
(CAS_5719 | NSC_5719 | Zaleplon)Show InChI InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3 | PDB
UniProtKB/SwissProt
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| 81.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 311: 537-46 (2004)
Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8 |
More data for this
Ligand-Target Pair | |
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