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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-3 [29-492]/beta-3 [26-473]/gamma-2 [40-467]' and Ligand = 'BDBM25880'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Gamma-aminobutyric acid receptor subunit alpha-3 [29-492]/beta-3 [26-473]/gamma-2 [40-467]


(Homo sapiens (Human))		BDBM25880
PNG
(5-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCCCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C35H30N6O6/c1-5-22-10-12-26-24(16-22)32(42)38(3)18-28-30(36-20-40(26)28)34(44)46-14-8-7-9-15-47-35(45)31-29-19-39(4)33(43)25-17-23(6-2)11-13-27(25)41(29)21-37-31/h1-2,10-13,16-17,20-21H,7-9,14-15,18-19H2,3-4H3
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.67E+3 -29.6n/an/an/an/an/a7.44



University of Wisconsin-Milwaukee



Assay Description
The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o...

Bioorg Med Chem 16: 8853-62 (2008)


Article DOI: 10.1016/j.bmc.2008.08.072
BindingDB Entry DOI: 10.7270/Q2GX48WR
More data for this
Ligand-Target Pair