null
SMILES: CC(C)Sc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12
InChI Key: InChIKey=CNFLHWVYIFARIM-UHFFFAOYSA-N
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-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human)) | BDBM50110711 (3-Isopropylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-y...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2 | 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 | |||||||||||||
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human)) | BDBM50110711 (3-Isopropylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-y...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2 | 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)) | BDBM50110711 (3-Isopropylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-y...) | UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 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 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)) | BDBM50110711 (3-Isopropylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-y...) | UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 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 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-3/beta-3/gamma-2 (Homo sapiens (Human)) | BDBM50110711 (3-Isopropylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-y...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 7 | 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)) | BDBM50110711 (3-Isopropylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-y...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 7 | 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 | |||||||||||||
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human)) | BDBM50110711 (3-Isopropylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-y...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 12 | 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 | |||||||||||||
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human)) | BDBM50110711 (3-Isopropylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-y...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 12 | 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 | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human)) | BDBM50110711 (3-Isopropylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-y...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 137 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay | Bioorg Med Chem Lett 26: 2631-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.021 BindingDB Entry DOI: 10.7270/Q2RV0QKC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human)) | BDBM50110711 (3-Isopropylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-y...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 256 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay | Bioorg Med Chem Lett 26: 2631-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.021 BindingDB Entry DOI: 10.7270/Q2RV0QKC | |||||||||||
More data for this Ligand-Target Pair |