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Patent code US10213407

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
BL21*DE3::pET30a-Ec yeaWX


(Escherichia coli (strain K12))
BDBM356255
PNG
(US10213407, ID 1)
Show SMILES [I-].CC[N+](C)(CC)CCN=C=S
Show InChI InChI=1S/C8H17N2S.HI/c1-4-10(3,5-2)7-6-9-8-11;/h4-7H2,1-3H3;1H/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10E+5n/an/an/an/an/an/a



THE PROCTER & GAMBLE COMPANY; THE CLEVELAND CLINIC FOUNDATION

US Patent


Assay Description
Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yea...


US Patent US10213407 (2019)

More data for this
Ligand-Target Pair
BL21*DE3::pET30a-Ec yeaWX


(Escherichia coli (strain K12))
BDBM356498
PNG
(US10213407, ID 7)
Show SMILES [O-]S(=O)(=O)C(F)(F)F.CC[N+](CC)(CCBr)CCCN=C=S
Show InChI InChI=1S/C10H20BrN2S.CHF3O3S/c1-3-13(4-2,9-6-11)8-5-7-12-10-14;2-1(3,4)8(5,6)7/h3-9H2,1-2H3;(H,5,6,7)/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70E+5n/an/an/an/an/an/a



THE PROCTER & GAMBLE COMPANY; THE CLEVELAND CLINIC FOUNDATION

US Patent


Assay Description
Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yea...


US Patent US10213407 (2019)

More data for this
Ligand-Target Pair
BL21*DE3::pET30a-Ec yeaWX


(Escherichia coli (strain K12))
BDBM356497
PNG
(US10213407, ID 6)
Show SMILES [Br-].CCOC(=O)C(=O)C[N+](C)(C)CCCN=C=S
Show InChI InChI=1S/C11H19N2O3S.BrH/c1-4-16-11(15)10(14)8-13(2,3)7-5-6-12-9-17;/h4-8H2,1-3H3;1H/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.00E+5n/an/an/an/an/an/a



THE PROCTER & GAMBLE COMPANY; THE CLEVELAND CLINIC FOUNDATION

US Patent


Assay Description
Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yea...


US Patent US10213407 (2019)

More data for this
Ligand-Target Pair
BL21*DE3::pET30a-Ec yeaWX


(Escherichia coli (strain K12))
BDBM356493
PNG
(US10213407, ID 2)
Show SMILES [I-].CC[N+](C)(CC)CCCN=C=S
Show InChI InChI=1S/C9H19N2S.HI/c1-4-11(3,5-2)8-6-7-10-9-12;/h4-8H2,1-3H3;1H/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.00E+5n/an/an/an/an/an/a



THE PROCTER & GAMBLE COMPANY; THE CLEVELAND CLINIC FOUNDATION

US Patent


Assay Description
Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yea...


US Patent US10213407 (2019)

More data for this
Ligand-Target Pair
BL21*DE3::pET30a-Ec yeaWX


(Escherichia coli (strain K12))
BDBM356499
PNG
(US10213407, ID 8)
Show SMILES [Br-].C[N+](C)(CCN=C=S)CC#N
Show InChI InChI=1S/C7H12N3S.BrH/c1-10(2,5-3-8)6-4-9-7-11;/h4-6H2,1-2H3;1H/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10E+5n/an/an/an/an/an/a



THE PROCTER & GAMBLE COMPANY; THE CLEVELAND CLINIC FOUNDATION

US Patent


Assay Description
Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yea...


US Patent US10213407 (2019)

More data for this
Ligand-Target Pair
BL21*DE3::pET30a-Ec yeaWX


(Escherichia coli (strain K12))
BDBM356494
PNG
(US10213407, ID 3)
Show SMILES [Br-].CCOC(=O)C[N+](CC)(CC)CCCN=C=S
Show InChI InChI=1S/C12H23N2O2S.BrH/c1-4-14(5-2,9-7-8-13-11-17)10-12(15)16-6-3;/h4-10H2,1-3H3;1H/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20E+5n/an/an/an/an/an/a



THE PROCTER & GAMBLE COMPANY; THE CLEVELAND CLINIC FOUNDATION

US Patent


Assay Description
Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yea...


US Patent US10213407 (2019)

More data for this
Ligand-Target Pair
BL21*DE3::pET30a-Ec yeaWX


(Escherichia coli (strain K12))
BDBM356495
PNG
(US10213407, ID 4)
Show SMILES [Br-].CCOC(=O)C[N+](C)(C)CCN=C=S
Show InChI InChI=1S/C9H17N2O2S.BrH/c1-4-13-9(12)7-11(2,3)6-5-10-8-14;/h4-7H2,1-3H3;1H/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+5n/an/an/an/an/an/a



THE PROCTER & GAMBLE COMPANY; THE CLEVELAND CLINIC FOUNDATION

US Patent


Assay Description
Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yea...


US Patent US10213407 (2019)

More data for this
Ligand-Target Pair
BL21*DE3::pET30a-Ec yeaWX


(Escherichia coli (strain K12))
BDBM356500
PNG
(US10213407, ID 9)
Show SMILES [Br-].CC[N+](CC)(CCCN=C=S)CC#N
Show InChI InChI=1S/C10H18N3S.BrH/c1-3-13(4-2,9-6-11)8-5-7-12-10-14;/h3-5,7-9H2,1-2H3;1H/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.00E+5n/an/an/an/an/an/a



THE PROCTER & GAMBLE COMPANY; THE CLEVELAND CLINIC FOUNDATION

US Patent


Assay Description
Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yea...


US Patent US10213407 (2019)

More data for this
Ligand-Target Pair
BL21*DE3::pET30a-Ec yeaWX


(Escherichia coli (strain K12))
BDBM356496
PNG
(US10213407, ID 5)
Show SMILES [Br-].CCOC(=O)C(=O)C[N+](C)(C)CCN=C=S
Show InChI InChI=1S/C10H17N2O3S.BrH/c1-4-15-10(14)9(13)7-12(2,3)6-5-11-8-16;/h4-7H2,1-3H3;1H/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.51E+6n/an/an/an/an/an/a



THE PROCTER & GAMBLE COMPANY; THE CLEVELAND CLINIC FOUNDATION

US Patent


Assay Description
Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yea...


US Patent US10213407 (2019)

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