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BDBM50067433 7-(1-ethynyl)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)-(12aS)-12,12a-dihydro-9H,11H-azeto[1,2-a]benzo[e]imidazo[5,1-c][1,4]diazepin-9-one::CHEMBL133705

SMILES: CC(C)c1noc(n1)-c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C

InChI Key: InChIKey=LOFKMRMDVCEZEF-HNNXBMFYSA-N

Data: 10 KI

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 10 hits for monomerid = 50067433   
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
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067433
PNG
(7-(1-ethynyl)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)...)
Show SMILES CC(C)c1noc(n1)-c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C20H17N5O2/c1-4-12-5-6-14-13(9-12)20(26)24-8-7-15(24)17-16(21-10-25(14)17)19-22-18(11(2)3)23-27-19/h1,5-6,9-11,15H,7-8H2,2-3H3/t15-/m0/s1
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PubMed
8.5n/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
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067433
PNG
(7-(1-ethynyl)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)...)
Show SMILES CC(C)c1noc(n1)-c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C20H17N5O2/c1-4-12-5-6-14-13(9-12)20(26)24-8-7-15(24)17-16(21-10-25(14)17)19-22-18(11(2)3)23-27-19/h1,5-6,9-11,15H,7-8H2,2-3H3/t15-/m0/s1
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PubMed
8.5n/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)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067433
PNG
(7-(1-ethynyl)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)...)
Show SMILES CC(C)c1noc(n1)-c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C20H17N5O2/c1-4-12-5-6-14-13(9-12)20(26)24-8-7-15(24)17-16(21-10-25(14)17)19-22-18(11(2)3)23-27-19/h1,5-6,9-11,15H,7-8H2,2-3H3/t15-/m0/s1
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88n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity of the compound tested against alpha2-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
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067433
PNG
(7-(1-ethynyl)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)...)
Show SMILES CC(C)c1noc(n1)-c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C20H17N5O2/c1-4-12-5-6-14-13(9-12)20(26)24-8-7-15(24)17-16(21-10-25(14)17)19-22-18(11(2)3)23-27-19/h1,5-6,9-11,15H,7-8H2,2-3H3/t15-/m0/s1
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UniChem

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Article
PubMed
88n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


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


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067433
PNG
(7-(1-ethynyl)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)...)
Show SMILES CC(C)c1noc(n1)-c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C20H17N5O2/c1-4-12-5-6-14-13(9-12)20(26)24-8-7-15(24)17-16(21-10-25(14)17)19-22-18(11(2)3)23-27-19/h1,5-6,9-11,15H,7-8H2,2-3H3/t15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
122n/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
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067433
PNG
(7-(1-ethynyl)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)...)
Show SMILES CC(C)c1noc(n1)-c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C20H17N5O2/c1-4-12-5-6-14-13(9-12)20(26)24-8-7-15(24)17-16(21-10-25(14)17)19-22-18(11(2)3)23-27-19/h1,5-6,9-11,15H,7-8H2,2-3H3/t15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
122n/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)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067433
PNG
(7-(1-ethynyl)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)...)
Show SMILES CC(C)c1noc(n1)-c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C20H17N5O2/c1-4-12-5-6-14-13(9-12)20(26)24-8-7-15(24)17-16(21-10-25(14)17)19-22-18(11(2)3)23-27-19/h1,5-6,9-11,15H,7-8H2,2-3H3/t15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
156n/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)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067433
PNG
(7-(1-ethynyl)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)...)
Show SMILES CC(C)c1noc(n1)-c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C20H17N5O2/c1-4-12-5-6-14-13(9-12)20(26)24-8-7-15(24)17-16(21-10-25(14)17)19-22-18(11(2)3)23-27-19/h1,5-6,9-11,15H,7-8H2,2-3H3/t15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
156n/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
GABA receptor alpha-6/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067433
PNG
(7-(1-ethynyl)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)...)
Show SMILES CC(C)c1noc(n1)-c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C20H17N5O2/c1-4-12-5-6-14-13(9-12)20(26)24-8-7-15(24)17-16(21-10-25(14)17)19-22-18(11(2)3)23-27-19/h1,5-6,9-11,15H,7-8H2,2-3H3/t15-/m0/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
267n/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)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-6/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067433
PNG
(7-(1-ethynyl)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)...)
Show SMILES CC(C)c1noc(n1)-c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C20H17N5O2/c1-4-12-5-6-14-13(9-12)20(26)24-8-7-15(24)17-16(21-10-25(14)17)19-22-18(11(2)3)23-27-19/h1,5-6,9-11,15H,7-8H2,2-3H3/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
267n/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