Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2' and Ligand = 'BDBM50258249'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50258249 (CHEMBL4080678) Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3nncc3C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C24H37N3O2/c1-15-13-25-26-27(15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3/t16-,17+,18-,19-,20+,21-,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States. Curated by ChEMBL					Assay Description Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med...				J Med Chem 60: 7810-7819 (2017) Article DOI: 10.1021/acs.jmedchem.7b00846 BindingDB Entry DOI: 10.7270/Q2ZK5K4W
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