BDBM50148327 2-(4-Chloro-phenyl)-8-cyclopropylmethyl-2,5,5a,6,7,8,9,9a-octahydro-pyrazolo[4,3-c][1,6]naphthyridin-3-one::CHEMBL325158
SMILES: Clc1ccc(cc1)-n1[nH]c2C3CN(CC4CC4)CCC3N=Cc2c1=O
InChI Key: InChIKey=BGOCUVAKPSPUAI-UHFFFAOYSA-N
Data: 2 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-1/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50148327 (2-(4-Chloro-phenyl)-8-cyclopropylmethyl-2,5,5a,6,7...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.450 | 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 In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788 | Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50148327 (2-(4-Chloro-phenyl)-8-cyclopropylmethyl-2,5,5a,6,7...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.5 | 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 In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788 | Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM | |||||||||||
More data for this Ligand-Target Pair |