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SMILES: CN1Cc2c(ncn2-c2ccc(cc2C1=O)N1CCCCC1)C(=O)OC(C)(C)C

InChI Key: InChIKey=OYXXATFJACEJGE-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50067440   
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-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50067440
PNG
(5-Methyl-6-oxo-8-piperidin-1-yl-5,6-dihydro-4H-2,5...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)N1CCCCC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)19-18-13-24(4)20(27)16-12-15(25-10-6-5-7-11-25)8-9-17(16)26(18)14-23-19/h8-9,12,14H,5-7,10-11,13H2,1-4H3
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PubMed
4.20n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50067440
PNG
(5-Methyl-6-oxo-8-piperidin-1-yl-5,6-dihydro-4H-2,5...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)N1CCCCC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)19-18-13-24(4)20(27)16-12-15(25-10-6-5-7-11-25)8-9-17(16)26(18)14-23-19/h8-9,12,14H,5-7,10-11,13H2,1-4H3
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Article
PubMed
4.20n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2


J Med Chem 41: 4130-42 (1998)


Article DOI: 10.1021/jm980317y
BindingDB Entry DOI: 10.7270/Q2W37VFJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50067440
PNG
(5-Methyl-6-oxo-8-piperidin-1-yl-5,6-dihydro-4H-2,5...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)N1CCCCC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)19-18-13-24(4)20(27)16-12-15(25-10-6-5-7-11-25)8-9-17(16)26(18)14-23-19/h8-9,12,14H,5-7,10-11,13H2,1-4H3
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Article
PubMed
6.40n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity against alpha1-beta3-gamma2 GABAA/BzR receptor subtype.


J Med Chem 41: 4130-42 (1998)


Article DOI: 10.1021/jm980317y
BindingDB Entry DOI: 10.7270/Q2W37VFJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50067440
PNG
(5-Methyl-6-oxo-8-piperidin-1-yl-5,6-dihydro-4H-2,5...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)N1CCCCC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)19-18-13-24(4)20(27)16-12-15(25-10-6-5-7-11-25)8-9-17(16)26(18)14-23-19/h8-9,12,14H,5-7,10-11,13H2,1-4H3
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6.40n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50067440
PNG
(5-Methyl-6-oxo-8-piperidin-1-yl-5,6-dihydro-4H-2,5...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)N1CCCCC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)19-18-13-24(4)20(27)16-12-15(25-10-6-5-7-11-25)8-9-17(16)26(18)14-23-19/h8-9,12,14H,5-7,10-11,13H2,1-4H3
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PubMed
148n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-3-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50067440
PNG
(5-Methyl-6-oxo-8-piperidin-1-yl-5,6-dihydro-4H-2,5...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)N1CCCCC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)19-18-13-24(4)20(27)16-12-15(25-10-6-5-7-11-25)8-9-17(16)26(18)14-23-19/h8-9,12,14H,5-7,10-11,13H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
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Article
PubMed
148n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity against alpha3-beta3-gamma2 GABAA/BzR receptor subtype.


J Med Chem 41: 4130-42 (1998)


Article DOI: 10.1021/jm980317y
BindingDB Entry DOI: 10.7270/Q2W37VFJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50067440
PNG
(5-Methyl-6-oxo-8-piperidin-1-yl-5,6-dihydro-4H-2,5...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)N1CCCCC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)19-18-13-24(4)20(27)16-12-15(25-10-6-5-7-11-25)8-9-17(16)26(18)14-23-19/h8-9,12,14H,5-7,10-11,13H2,1-4H3
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Article
PubMed
247n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity against Gamma-aminobutyric-acid A receptor alpha6-beta3-gamma2


J Med Chem 41: 4130-42 (1998)


Article DOI: 10.1021/jm980317y
BindingDB Entry DOI: 10.7270/Q2W37VFJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50067440
PNG
(5-Methyl-6-oxo-8-piperidin-1-yl-5,6-dihydro-4H-2,5...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)N1CCCCC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)19-18-13-24(4)20(27)16-12-15(25-10-6-5-7-11-25)8-9-17(16)26(18)14-23-19/h8-9,12,14H,5-7,10-11,13H2,1-4H3
PDB

KEGG

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antibodypedia
antibodypedia
antibodypedia
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PC sid
UniChem

Similars

PubMed
247n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-6-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair