BDBM50067436 (S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl)-3b,4,5,6-tetrahydro-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulen-7-one::9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl)-3b,4,5,6-tetrahydro-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulen-7-one::CHEMBL335888
SMILES: CC(C)c1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C
InChI Key: InChIKey=KDGMRQJYYKGVCJ-INIZCTEOSA-N
Data: 10 KI
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
GABA receptor alpha-5/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50067436 ((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50067436 ((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50067436 ((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-1/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50067436 ((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50067436 ((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) 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)) | BDBM50067436 ((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-3/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50067436 ((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50067436 ((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-6/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50067436 ((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 333 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
GABA receptor alpha-6/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50067436 ((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 333 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |