BindingDB logo
myBDB logout

null

SMILES: [H][C@@]12CC\C(=C/C#N)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C

InChI Key: InChIKey=VFWOXQNFPHOBLO-NDEKYREMSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 238235   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM238235
PNG
(US9388210, 14b | US9388210, 6b)
Show SMILES [H][C@@]12CC\C(=C/C#N)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C
Show InChI InChI=1S/C21H29NO2/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,14-17,19,23H,3-7,9,11-12H2,1-2H3/b13-8+/t14-,15+,16-,17-,19+,20-,21+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 501n/an/an/an/a7.425



WASHINGTON UNIVERSITY

US Patent


Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


US Patent US9388210 (2016)


BindingDB Entry DOI: 10.7270/Q29K4949
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM238235
PNG
(US9388210, 14b | US9388210, 6b)
Show SMILES [H][C@@]12CC\C(=C/C#N)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C
Show InChI InChI=1S/C21H29NO2/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,14-17,19,23H,3-7,9,11-12H2,1-2H3/b13-8+/t14-,15+,16-,17-,19+,20-,21+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.03E+3n/an/an/an/a7.425



WASHINGTON UNIVERSITY

US Patent


Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


US Patent US9388210 (2016)


BindingDB Entry DOI: 10.7270/Q29K4949
More data for this
Ligand-Target Pair