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Patent code US10100042

Compile Data Set for Download or QSAR
Found 12 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
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM292024
PNG
(US10100042, Example 13)
Show SMILES Cc1cc(F)cc(C)c1-c1cccc(c1)-c1cc2cc(CCC(O)=O)ccc2o1
Show InChI InChI=1S/C25H21FO3/c1-15-10-21(26)11-16(2)25(15)19-5-3-4-18(13-19)23-14-20-12-17(7-9-24(27)28)6-8-22(20)29-23/h3-6,8,10-14H,7,9H2,1-2H3,(H,27,28)
UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 306n/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10100042 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM292022
PNG
(US10100042, Example 11)
Show SMILES COc1c(F)cc(c(Cl)c1F)-c1cccc(c1)-c1cc2cc(CCC(O)=O)ccc2o1
Show InChI InChI=1S/C24H17ClF2O4/c1-30-24-18(26)12-17(22(25)23(24)27)14-3-2-4-15(10-14)20-11-16-9-13(6-8-21(28)29)5-7-19(16)31-20/h2-5,7,9-12H,6,8H2,1H3,(H,28,29)
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UniChem
US Patent
n/an/an/an/a 1.19E+3n/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10100042 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM292023
PNG
(US10100042, Example 12)
Show SMILES Cc1cc(C)c(c(F)c1)-c1cccc(c1)-c1cc2cc(CCC(O)=O)ccc2o1
Show InChI InChI=1S/C25H21FO3/c1-15-10-16(2)25(21(26)11-15)19-5-3-4-18(13-19)23-14-20-12-17(7-9-24(27)28)6-8-22(20)29-23/h3-6,8,10-14H,7,9H2,1-2H3,(H,27,28)
UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 716n/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10100042 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM292020
PNG
(US10100042, Example 9)
Show SMILES COc1cc(C)c(cc1F)-c1cccc(c1)-c1cc2cc(CCC(O)=O)ccc2o1
Show InChI InChI=1S/C25H21FO4/c1-15-10-24(29-2)21(26)14-20(15)17-4-3-5-18(12-17)23-13-19-11-16(7-9-25(27)28)6-8-22(19)30-23/h3-6,8,10-14H,7,9H2,1-2H3,(H,27,28)
UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/an/an/a 815n/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10100042 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM292027
PNG
(US10100042, Example 16 | US10100042, Example 17)
Show SMILES COc1cc(C)c(c(C)c1)-c1cccc(c1)C1Cc2cc(CCC(O)=O)ccc2O1
Show InChI InChI=1S/C26H26O4/c1-16-11-22(29-3)12-17(2)26(16)20-6-4-5-19(14-20)24-15-21-13-18(8-10-25(27)28)7-9-23(21)30-24/h4-7,9,11-14,24H,8,10,15H2,1-3H3,(H,27,28)
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UniChem
US Patent
n/an/an/an/a 4.32E+3n/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10100042 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM292021
PNG
(US10100042, Example 10 | US10100042, Example 15)
Show SMILES COc1cc(C)c(c(C)c1)-c1cccc(c1)-c1cc2cc(CCC(O)=O)ccc2o1
Show InChI InChI=1S/C26H24O4/c1-16-11-22(29-3)12-17(2)26(16)20-6-4-5-19(14-20)24-15-21-13-18(8-10-25(27)28)7-9-23(21)30-24/h4-7,9,11-15H,8,10H2,1-3H3,(H,27,28)
UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/an/an/a 540n/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10100042 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM292018
PNG
(3-(2-(2′,6′-dimethyl-[1,1′-biphe...)
Show SMILES Cc1cccc(C)c1-c1cccc(c1)-c1cc2cc(CCC(O)=O)ccc2o1
Show InChI InChI=1S/C25H22O3/c1-16-5-3-6-17(2)25(16)20-8-4-7-19(14-20)23-15-21-13-18(10-12-24(26)27)9-11-22(21)28-23/h3-9,11,13-15H,10,12H2,1-2H3,(H,26,27)
UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/an/an/a 203n/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10100042 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM292025
PNG
(US10100042, Example 14)
Show SMILES OC(=O)CCc1ccc2oc(cc2c1)-c1cccc(c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H16Cl2O3/c24-18-5-2-6-19(25)23(18)16-4-1-3-15(12-16)21-13-17-11-14(8-10-22(26)27)7-9-20(17)28-21/h1-7,9,11-13H,8,10H2,(H,26,27)
UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/an/an/a 726n/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10100042 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM292021
PNG
(US10100042, Example 10 | US10100042, Example 15)
Show SMILES COc1cc(C)c(c(C)c1)-c1cccc(c1)-c1cc2cc(CCC(O)=O)ccc2o1
Show InChI InChI=1S/C26H24O4/c1-16-11-22(29-3)12-17(2)26(16)20-6-4-5-19(14-20)24-15-21-13-18(8-10-25(27)28)7-9-23(21)30-24/h4-7,9,11-15H,8,10H2,1-3H3,(H,27,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.49E+3n/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10100042 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM292027
PNG
(US10100042, Example 16 | US10100042, Example 17)
Show SMILES COc1cc(C)c(c(C)c1)-c1cccc(c1)C1Cc2cc(CCC(O)=O)ccc2O1
Show InChI InChI=1S/C26H26O4/c1-16-11-22(29-3)12-17(2)26(16)20-6-4-5-19(14-20)24-15-21-13-18(8-10-25(27)28)7-9-23(21)30-24/h4-7,9,11-14,24H,8,10,15H2,1-3H3,(H,27,28)
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 624n/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10100042 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM292019
PNG
(US10100042, Example 8)
Show SMILES OC(=O)CCc1ccc2oc(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H13F3O3/c19-18(20,21)14-5-3-12(4-6-14)16-10-13-9-11(2-8-17(22)23)1-7-15(13)24-16/h1,3-7,9-10H,2,8H2,(H,22,23)
UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/an/an/a 2.09E+4n/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10100042 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM292029
PNG
(US10100042, Example 18)
Show SMILES Cc1cccc(C)c1-c1cccc(c1)C1Cc2cc(CCC(O)=O)ccc2O1
Show InChI InChI=1S/C25H24O3/c1-16-5-3-6-17(2)25(16)20-8-4-7-19(14-20)23-15-21-13-18(10-12-24(26)27)9-11-22(21)28-23/h3-9,11,13-14,23H,10,12,15H2,1-2H3,(H,26,27)
UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/an/an/a 1.22E+3n/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10100042 (2018)

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