Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-2/delta' and Ligand = 'BDBM247432'   

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-2/delta (Rattus norvegicus (Rat))	BDBM247432 (US9453021, 39) Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c1ncn(CCCN(C)C)c3=O)C2=O Show InChI InChI=1S/C25H32N8O2/c1-4-26-25-27-14-19-22(29-25)32-13-6-8-17(32)15-33(24(19)35)20-10-5-9-18-21(20)28-16-31(23(18)34)12-7-11-30(2)3/h5,9-10,14,16-17H,4,6-8,11-13,15H2,1-3H3,(H,26,27,29)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	25
Kyowa Hakko Kirin Co., Ltd. US Patent					Assay Description A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...				US Patent US9453021 (2016) BindingDB Entry DOI: 10.7270/Q2251H4B
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