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Patent code US10667515

Compile Data Set for Download or QSAR
Found 17 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Resistance to inhibitors of cholinesterase protein 3


(Pig roundworm)
BDBM444833
PNG
(US10667515, Compound (S)-5-bromo-nicotine)
Show SMILES CN1CCC[C@H]1c1cncc(Br)c1
Show InChI InChI=1S/C10H13BrN2/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8/h5-7,10H,2-4H2,1H3/t10-/m0/s1
UniProtKB/TrEMBL

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UniChem
US Patent
n/an/an/an/a 2.04E+3n/an/an/an/a



Iowa State University Research Foundation, Inc.

US Patent


Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...


US Patent US10667515 (2020)

More data for this
Ligand-Target Pair
Resistance to inhibitors of cholinesterase protein 3


(Pig roundworm)
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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UniChem

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US Patent
n/an/an/an/a 6.36E+3n/an/an/an/a



Iowa State University Research Foundation, Inc.

US Patent


Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...


US Patent US10667515 (2020)

More data for this
Ligand-Target Pair
Resistance to inhibitors of cholinesterase protein 3


(Pig roundworm)
BDBM444828
PNG
(US10667515, Compound (S)-5-ethynyl-anabasine)
Show SMILES C#Cc1cncc(c1)[C@@H]1CCCCN1
Show InChI InChI=1S/C12H14N2/c1-2-10-7-11(9-13-8-10)12-5-3-4-6-14-12/h1,7-9,12,14H,3-6H2/t12-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 140n/an/an/an/a



Iowa State University Research Foundation, Inc.

US Patent


Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...


US Patent US10667515 (2020)

More data for this
Ligand-Target Pair
Resistance to inhibitors of cholinesterase protein 3


(Pig roundworm)
BDBM50100716
PNG
(5-(1-Methyl-pyrrolidin-2-yl)-pyridin-2-ylamine | C...)
Show SMILES CN1CCCC1c1ccc(N)nc1
Show InChI InChI=1S/C10H15N3/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3,(H2,11,12)
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n/an/an/an/a 1.22E+4n/an/an/an/a



Iowa State University Research Foundation, Inc.

US Patent


Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...


US Patent US10667515 (2020)

More data for this
Ligand-Target Pair
Resistance to inhibitors of cholinesterase protein 3


(Pig roundworm)
BDBM50370573
PNG
(COTININE | US10667515, Compound (S)-cotinine | US8...)
Show SMILES CN1[C@@H](CCC1=O)c1cccnc1
Show InChI InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
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n/an/an/an/a<1.00E+5n/an/an/an/a



Iowa State University Research Foundation, Inc.

US Patent


Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...


US Patent US10667515 (2020)

More data for this
Ligand-Target Pair
Resistance to inhibitors of cholinesterase protein 3


(Pig roundworm)
BDBM444829
PNG
(US10667515, Compound (S)-5-bromo-anabasine)
Show SMILES Brc1cncc(c1)[C@@H]1CCCCN1
Show InChI InChI=1S/C10H13BrN2/c11-9-5-8(6-12-7-9)10-3-1-2-4-13-10/h5-7,10,13H,1-4H2/t10-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 320n/an/an/an/a



Iowa State University Research Foundation, Inc.

US Patent


Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...


US Patent US10667515 (2020)

More data for this
Ligand-Target Pair
Resistance to inhibitors of cholinesterase protein 3


(Pig roundworm)
BDBM109767
PNG
(US10667515, Compound (S)-anabasine | US8609708, 59...)
Show SMILES C1CC[C@H](NC1)c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2/t10-/m0/s1
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US Patent
n/an/an/an/a 1.26E+3n/an/an/an/a



Iowa State University Research Foundation, Inc.

US Patent


Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...


US Patent US10667515 (2020)

More data for this
Ligand-Target Pair
Resistance to inhibitors of cholinesterase protein 3


(Pig roundworm)
BDBM50451805
PNG
(CHEMBL163042 | US10667515, Compound homonicotine)
Show SMILES CCN1CCCC1c1cccnc1
Show InChI InChI=1S/C11H16N2/c1-2-13-8-4-6-11(13)10-5-3-7-12-9-10/h3,5,7,9,11H,2,4,6,8H2,1H3
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US Patent
n/an/an/an/a 1.66E+4n/an/an/an/a



Iowa State University Research Foundation, Inc.

US Patent


Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...


US Patent US10667515 (2020)

More data for this
Ligand-Target Pair
Resistance to inhibitors of cholinesterase protein 3


(Pig roundworm)
BDBM444843
PNG
(US10667515, Compound (S)-1-methyl-nicotinium)
Show SMILES CN1CCC[C@H]1c1ccc[n+](C)c1
Show InChI InChI=1S/C11H17N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1/t11-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<1.00E+5n/an/an/an/a



Iowa State University Research Foundation, Inc.

US Patent


Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...


US Patent US10667515 (2020)

More data for this
Ligand-Target Pair
Resistance to inhibitors of cholinesterase protein 3


(Pig roundworm)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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n/an/an/an/a 6.21E+3n/an/an/an/a



Iowa State University Research Foundation, Inc.

US Patent


Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...


US Patent US10667515 (2020)

More data for this
Ligand-Target Pair
Resistance to inhibitors of cholinesterase protein 3


(Pig roundworm)
BDBM444837
PNG
(US10667515, Compound (S)-1'-methyl-nicotinium)
Show SMILES C[N+]1(C)CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C11H17N2/c1-13(2)8-4-6-11(13)10-5-3-7-12-9-10/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1/t11-/m0/s1
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UniChem
US Patent
n/an/an/an/a 1.03E+4n/an/an/an/a



Iowa State University Research Foundation, Inc.

US Patent


Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...


US Patent US10667515 (2020)

More data for this
Ligand-Target Pair
Resistance to inhibitors of cholinesterase protein 3


(Pig roundworm)
BDBM444838
PNG
(US10667515, Compound (S)-nicotine-5-carboxaldehyde)
Show SMILES CN1CCC[C@H]1c1cncc(c1)C(C)=O
Show InChI InChI=1S/C12H16N2O/c1-9(15)10-6-11(8-13-7-10)12-4-3-5-14(12)2/h6-8,12H,3-5H2,1-2H3/t12-/m0/s1
UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/an/an/a 1.15E+4n/an/an/an/a



Iowa State University Research Foundation, Inc.

US Patent


Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...


US Patent US10667515 (2020)

More data for this
Ligand-Target Pair
Resistance to inhibitors of cholinesterase protein 3


(Pig roundworm)
BDBM50023328
PNG
(3-Pyrrolidin-2-yl-pyridine | CHEMBL1132 | Nornicot...)
Show SMILES C1CNC(C1)c1cccnc1
Show InChI InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2
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n/an/an/an/a 2.57E+4n/an/an/an/a



Iowa State University Research Foundation, Inc.

US Patent


Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...


US Patent US10667515 (2020)

More data for this
Ligand-Target Pair
Resistance to inhibitors of cholinesterase protein 3


(Pig roundworm)
BDBM50052593
PNG
(3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...)
Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1
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US Patent
n/an/an/an/a 370n/an/an/an/a



Iowa State University Research Foundation, Inc.

US Patent


Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...


US Patent US10667515 (2020)

More data for this
Ligand-Target Pair
Resistance to inhibitors of cholinesterase protein 3


(Pig roundworm)
BDBM50475399
PNG
(CHEMBL364003 | US10667515, Compound 5-methyl-nicot...)
Show SMILES CN1CCCC1c1cncc(C)c1
Show InChI InChI=1S/C11H16N2/c1-9-6-10(8-12-7-9)11-4-3-5-13(11)2/h6-8,11H,3-5H2,1-2H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 990n/an/an/an/a



Iowa State University Research Foundation, Inc.

US Patent


Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...


US Patent US10667515 (2020)

More data for this
Ligand-Target Pair
Resistance to inhibitors of cholinesterase protein 3


(Pig roundworm)
BDBM444834
PNG
(US10667515, Compound 6-methyl-nicotine)
Show SMILES CN1CCC[C@H]1c1ccc(C)nc1
Show InChI InChI=1S/C11H16N2/c1-9-5-6-10(8-12-9)11-4-3-7-13(11)2/h5-6,8,11H,3-4,7H2,1-2H3/t11-/m0/s1
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US Patent
n/an/an/an/a 6.13E+3n/an/an/an/a



Iowa State University Research Foundation, Inc.

US Patent


Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...


US Patent US10667515 (2020)

More data for this
Ligand-Target Pair
Resistance to inhibitors of cholinesterase protein 3


(Pig roundworm)
BDBM50079457
PNG
(1-Methyl-1,2,3,4,5,6-hexahydro-[2,3']bipyridinyl |...)
Show SMILES CN1CCCCC1c1cccnc1
Show InChI InChI=1S/C11H16N2/c1-13-8-3-2-6-11(13)10-5-4-7-12-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3
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n/an/an/an/a<1.00E+5n/an/an/an/a



Iowa State University Research Foundation, Inc.

US Patent


Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...


US Patent US10667515 (2020)

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