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Patent code US10472324

Compile Data Set for Download or QSAR
Found 9 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
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM419906
PNG
(US10472324, Example 9)
Show SMILES OC(C1CC1)=C(C#N)C(=S)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O3S2/c15-14(16,17)24(21,22)10-5-3-9(4-6-10)19-13(23)11(7-18)12(20)8-1-2-8/h3-6,8,20H,1-2H2,(H,19,23)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 5.00E+3n/an/an/an/an/an/a



ALGIAX PHARMACEUTICALS GMBH

US Patent


Assay Description
Standard assays were carried out to measure the effects of these compounds on the cytotoxicity, virus yield and infection rates of 2019-nCoVs. Firstl...


US Patent US10472324 (2019)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM419122
PNG
(US10472324, Example 1)
Show SMILES NC(=O)c1nc(F)c[nH]c1=O
Show InChI InChI=1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 5.30E+3n/an/an/an/an/an/a



ALGIAX PHARMACEUTICALS GMBH

US Patent


Assay Description
Standard assays were carried out to measure the effects of these compounds on the cytotoxicity, virus yield and infection rates of 2019-nCoVs. Firstl...


US Patent US10472324 (2019)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM419852
PNG
(US10472324, Example 3)
Show SMILES Cc1cc(NC(=S)C(C#N)=C(O)C2CC2)ccc1[N+]([O-])=O
Show InChI InChI=1S/C14H13N3O3S/c1-8-6-10(4-5-12(8)17(19)20)16-14(21)11(7-15)13(18)9-2-3-9/h4-6,9,18H,2-3H2,1H3,(H,16,21)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 6.00E+3n/an/an/an/an/an/a



ALGIAX PHARMACEUTICALS GMBH

US Patent


Assay Description
Standard assays were carried out to measure the effects of these compounds on the cytotoxicity, virus yield and infection rates of 2019-nCoVs. Firstl...


US Patent US10472324 (2019)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM419902
PNG
(US10472324, Example 5)
Show SMILES OC(C1CC1)=C(C#N)C(=S)Nc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C14H11F3N2OS2/c15-14(16,17)22-10-5-3-9(4-6-10)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,20H,1-2H2,(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 7.70E+3n/an/an/an/an/an/a



ALGIAX PHARMACEUTICALS GMBH

US Patent


Assay Description
Standard assays were carried out to measure the effects of these compounds on the cytotoxicity, virus yield and infection rates of 2019-nCoVs. Firstl...


US Patent US10472324 (2019)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM419903
PNG
(US10472324, Example 6)
Show SMILES Cc1cc(NC(=S)C(C#N)=C(O)C2CC2)ccc1C#N
Show InChI InChI=1S/C15H13N3OS/c1-9-6-12(5-4-11(9)7-16)18-15(20)13(8-17)14(19)10-2-3-10/h4-6,10,19H,2-3H2,1H3,(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 7.90E+3n/an/an/an/an/an/a



ALGIAX PHARMACEUTICALS GMBH

US Patent


Assay Description
Standard assays were carried out to measure the effects of these compounds on the cytotoxicity, virus yield and infection rates of 2019-nCoVs. Firstl...


US Patent US10472324 (2019)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM419125
PNG
(US10472324, Example 2)
Show SMILES CCC(CC)COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1ccccc1
Show InChI InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 8.30E+3n/an/an/an/an/an/a



ALGIAX PHARMACEUTICALS GMBH

US Patent


Assay Description
Standard assays were carried out to measure the effects of these compounds on the cytotoxicity, virus yield and infection rates of 2019-nCoVs. Firstl...


US Patent US10472324 (2019)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM419901
PNG
(US10472324, Example 4)
Show SMILES OC(C1CC1)=C(C#N)C(=S)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N3O3S/c14-7-11(12(17)8-1-2-8)13(20)15-9-3-5-10(6-4-9)16(18)19/h3-6,8,17H,1-2H2,(H,15,20)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 8.70E+3n/an/an/an/an/an/a



ALGIAX PHARMACEUTICALS GMBH

US Patent


Assay Description
Standard assays were carried out to measure the effects of these compounds on the cytotoxicity, virus yield and infection rates of 2019-nCoVs. Firstl...


US Patent US10472324 (2019)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM419904
PNG
(US10472324, Example 7)
Show SMILES OC(C1CC1)=C(C#N)C(=S)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C14H11N3OS/c15-7-9-1-5-11(6-2-9)17-14(19)12(8-16)13(18)10-3-4-10/h1-2,5-6,10,18H,3-4H2,(H,17,19)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 9.60E+3n/an/an/an/an/an/a



ALGIAX PHARMACEUTICALS GMBH

US Patent


Assay Description
Standard assays were carried out to measure the effects of these compounds on the cytotoxicity, virus yield and infection rates of 2019-nCoVs. Firstl...


US Patent US10472324 (2019)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM419905
PNG
(US10472324, Example 8)
Show SMILES OC(C1CC1)=C(C#N)C(=S)Nc1ccc(cc1)S(=O)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O2S2/c15-14(16,17)23(21)10-5-3-9(4-6-10)19-13(22)11(7-18)12(20)8-1-2-8/h3-6,8,20H,1-2H2,(H,19,22)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 1.03E+4n/an/an/an/an/an/a



ALGIAX PHARMACEUTICALS GMBH

US Patent


Assay Description
Standard assays were carried out to measure the effects of these compounds on the cytotoxicity, virus yield and infection rates of 2019-nCoVs. Firstl...


US Patent US10472324 (2019)

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