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BDBM86521 CAS_5719::NSC_5719::Zaleplon

SMILES: CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N

InChI Key: InChIKey=HUNXMJYCHXQEGX-UHFFFAOYSA-N

Data: 5 KI  3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 86521   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM86521
PNG
(CAS_5719 | NSC_5719 | Zaleplon)
Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N
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
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Article
PubMed
45.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 537-46 (2004)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM86521
PNG
(CAS_5719 | NSC_5719 | Zaleplon)
Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N
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
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Article
PubMed
59.8n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 537-46 (2004)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM86521
PNG
(CAS_5719 | NSC_5719 | Zaleplon)
Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N
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
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Article
PubMed
68.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 537-46 (2004)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM86521
PNG
(CAS_5719 | NSC_5719 | Zaleplon)
Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N
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
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Article
PubMed
81.2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 537-46 (2004)

More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens)
BDBM86521
PNG
(CAS_5719 | NSC_5719 | Zaleplon)
Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N
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

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PubMed
8.30E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldehyde oxidase in human liver cytosol assessed as production of oxozoniporide


Drug Metab Dispos 40: 1441-8 (2012)

More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens-HUMAN)
BDBM86521
PNG
(CAS_5719 | NSC_5719 | Zaleplon)
Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N
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

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Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of human GABAA alpha3beta3gamma2 expressed in xenopus oocytes assessed as potentiation of GABA-evoked chloride currents


J Med Chem 56: 593-624 (2013)

More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM86521
PNG
(CAS_5719 | NSC_5719 | Zaleplon)
Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N
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

KEGG

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Article
PubMed
n/an/an/an/a 1.63E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of human GABAA alpha2beta3gamma2 expressed in xenopus oocytes assessed as potentiation of GABA-evoked chloride currents


J Med Chem 56: 593-624 (2013)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM86521
PNG
(CAS_5719 | NSC_5719 | Zaleplon)
Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N
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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KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 290n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of human GABA-A alpha1beta2gamma2 expressed in xenopus oocytes assessed as potentiation of GABA-evoked chloride currents


J Med Chem 56: 593-624 (2013)

More data for this
Ligand-Target Pair