BDBM50149420 2-bromobenzyl 6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl ether::CHEMBL121088
SMILES: Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccc3Br)nn12
InChI Key: InChIKey=RTRIMAMBTITPNP-UHFFFAOYSA-N
Data: 4 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)) | BDBM50149420 (2-bromobenzyl 6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,...) | PDB KEGG GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells | J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50149420 (2-bromobenzyl 6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Binding affinity towards human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells | J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50149420 (2-bromobenzyl 6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,...) | PDB KEGG GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 16.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Binding affinity towards human gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells | J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50149420 (2-bromobenzyl 6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 58.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Binding affinity towards human alpha1-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells | J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423 | |||||||||||
More data for this Ligand-Target Pair |