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Patent code US9676786

Compile Data Set for Download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Glycine


()
BDBM199088
PNG
(US9676786, example 6)
Show SMILES CC(C)c1cc(cc(C(C)C)c1O)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C18H28N2O2/c1-12(2)15-10-14(11-16(13(3)4)17(15)21)18(22)20-8-6-19(5)7-9-20/h10-13,21H,6-9H2,1-5H3
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00120n/an/an/an/a



THE UNIVERSITY OF LIVERPOOL

US Patent


Assay Description
Human embryonic kidney (HEK) 293 cells (ATCC CRL 1573) and/or Xenopus laevis oocytes were used for expressing the human a1-3 glycine receptor subunit...


Citation and Details
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


()
BDBM198934
PNG
(US9676786, example 3)
Show SMILES CC(C)c1cc(cc(C(C)C)c1OCc1ccccc1)C(=O)N1CC(F)C1
Show InChI InChI=1S/C23H28FNO2/c1-15(2)20-10-18(23(26)25-12-19(24)13-25)11-21(16(3)4)22(20)27-14-17-8-6-5-7-9-17/h5-11,15-16,19H,12-14H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.430n/an/an/an/a



THE UNIVERSITY OF LIVERPOOL

US Patent


Assay Description
Human embryonic kidney (HEK) 293 cells (ATCC CRL 1573) and/or Xenopus laevis oocytes were used for expressing the human a1-3 glycine receptor subunit...


Citation and Details
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


()
BDBM198933
PNG
(US9676786, example 2)
Show SMILES CC(C)c1cc(cc(C(C)C)c1OCc1ccccc1)C(Cl)=O
Show InChI InChI=1S/C20H23ClO2/c1-13(2)17-10-16(20(21)22)11-18(14(3)4)19(17)23-12-15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0600n/an/an/an/a



THE UNIVERSITY OF LIVERPOOL

US Patent


Assay Description
Human embryonic kidney (HEK) 293 cells (ATCC CRL 1573) and/or Xenopus laevis oocytes were used for expressing the human a1-3 glycine receptor subunit...


Citation and Details
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


()
BDBM198936
PNG
(US9676786, example 5)
Show SMILES CC(C)c1cc(cc(C(C)C)c1O)C(O)=O
Show InChI InChI=1S/C13H18O3/c1-7(2)10-5-9(13(15)16)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3,(H,15,16)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.000160n/an/an/an/a



THE UNIVERSITY OF LIVERPOOL

US Patent


Assay Description
Human embryonic kidney (HEK) 293 cells (ATCC CRL 1573) and/or Xenopus laevis oocytes were used for expressing the human a1-3 glycine receptor subunit...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%