BDBM50110705 3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-benzo[c]thiophen-4-one::CHEMBL17547
SMILES: CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1ccccn1
InChI Key: InChIKey=MZGKIGRVCYKVPS-UHFFFAOYSA-N
Data: 8 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Homo sapiens (Human)) | BDBM50110705 (3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human GABA A alpha5-beta3-gamma2 receptor,using a [3H]-Ro- 15-1788 radioligand | J Med Chem 46: 2227-40 (2003) Article DOI: 10.1021/jm020582q BindingDB Entry DOI: 10.7270/Q2BK1BP2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Homo sapiens (Human)) | BDBM50110705 (3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha5-beta3-gamma2 subunits | J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human)) | BDBM50110705 (3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha1-beta3-gamma2 subunits | J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human)) | BDBM50110705 (3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human gamma-aminobutyric-acid A receptor alpha1beta3gamma2, determined using [3H]-Ro- 15-1788 radioligand | J Med Chem 46: 2227-40 (2003) Article DOI: 10.1021/jm020582q BindingDB Entry DOI: 10.7270/Q2BK1BP2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gamma-aminobutyric acid receptor subunit alpha-2/beta-3/gamma-2 (Homo sapiens (Human)) | BDBM50110705 (3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha2-beta3-gamma2 subunits | J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gamma-aminobutyric acid receptor subunit alpha-2/beta-3/gamma-2 (Homo sapiens (Human)) | BDBM50110705 (3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human gamma-amino butyric-acid A receptor alpha2beta3gamma2, using a [3H]-Ro- 15-1788 radioligand | J Med Chem 46: 2227-40 (2003) Article DOI: 10.1021/jm020582q BindingDB Entry DOI: 10.7270/Q2BK1BP2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human)) | BDBM50110705 (3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human gamma-amino butyric-acid A receptor alpha3beta3gamma2, using a [3H]-Ro- 15-1788 radioligand | J Med Chem 46: 2227-40 (2003) Article DOI: 10.1021/jm020582q BindingDB Entry DOI: 10.7270/Q2BK1BP2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human)) | BDBM50110705 (3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha3-beta3-gamma2 subunits | J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG | |||||||||||
More data for this Ligand-Target Pair |