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Patent code US10800776

Compile Data Set for Download or QSAR
Found 45 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
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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Similars

US Patent
n/an/a 130n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466960
PNG
(7-(Benzo[d][1,3]dioxol-5-yl)-8-chloro- 3-((2,2-dif...)
Show SMILES FC1(F)CC1Cc1nnc2c(Cl)c(ccn12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C17H12ClF2N3O2/c18-15-11(9-1-2-12-13(5-9)25-8-24-12)3-4-23-14(21-22-16(15)23)6-10-7-17(10,19)20/h1-5,10H,6-8H2
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n/an/a 4.67E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466959
PNG
(8-chloro-3-((2,2-difluorocyclopropyl) methyl)-7-(2...)
Show SMILES FC1(F)CC1Cc1nnc2c(Cl)c(ccn12)-c1ccc2OCCc2c1
Show InChI InChI=1S/C18H14ClF2N3O/c19-16-13(10-1-2-14-11(7-10)4-6-25-14)3-5-24-15(22-23-17(16)24)8-12-9-18(12,20)21/h1-3,5,7,12H,4,6,8-9H2
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n/an/a 4.88E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466958
PNG
(Methyl 3-Chloro-4-(8-chloro- 3-((2,2-difluorocyclo...)
Show SMILES COC(=O)c1ccc(c(Cl)c1)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
Show InChI InChI=1S/C18H13Cl2F2N3O2/c1-27-17(26)9-2-3-11(13(19)6-9)12-4-5-25-14(7-10-8-18(10,21)22)23-24-16(25)15(12)20/h2-6,10H,7-8H2,1H3
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n/an/a 1.08E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466955
PNG
(8-chloro-3-((2,2-difluorocyclopropyl) methyl)-7-(4...)
Show SMILES Cc1cc(F)ccc1-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
Show InChI InChI=1S/C17H13ClF3N3/c1-9-6-11(19)2-3-12(9)13-4-5-24-14(7-10-8-17(10,20)21)22-23-16(24)15(13)18/h2-6,10H,7-8H2,1H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466957
PNG
(Methyl 4-(8-Chloro-3- ((2,2-difluorocyclopropyl) m...)
Show SMILES COC(=O)c1ccc(c(F)c1)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
Show InChI InChI=1S/C18H13ClF3N3O2/c1-27-17(26)9-2-3-11(13(20)6-9)12-4-5-25-14(7-10-8-18(10,21)22)23-24-16(25)15(12)19/h2-6,10H,7-8H2,1H3
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n/an/a 1.34E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466954
PNG
(8-chloro-3-((2,2-difluorocyclopropyl) methyl)-7-(3...)
Show SMILES Fc1cccc(c1)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
Show InChI InChI=1S/C16H11ClF3N3/c17-14-12(9-2-1-3-11(18)6-9)4-5-23-13(21-22-15(14)23)7-10-8-16(10,19)20/h1-6,10H,7-8H2
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n/an/a 1.50E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466956
PNG
(8-chloro-3-((2,2-difluorocyclopropyl) methyl)-7-(3...)
Show SMILES COc1ccc(cc1F)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
Show InChI InChI=1S/C17H13ClF3N3O/c1-25-13-3-2-9(6-12(13)19)11-4-5-24-14(7-10-8-17(10,20)21)22-23-16(24)15(11)18/h2-6,10H,7-8H2,1H3
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n/an/a 1.61E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466948
PNG
(Methyl 4-(3-((2,2-difluorocyclopropyl) methyl)-[1,...)
Show SMILES COC(=O)c1ccc(c(F)c1)-c1ccn2c(CC3CC3(F)F)nnc2c1
Show InChI InChI=1S/C18H14F3N3O2/c1-26-17(25)11-2-3-13(14(19)6-11)10-4-5-24-15(7-10)22-23-16(24)8-12-9-18(12,20)21/h2-7,12H,8-9H2,1H3
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n/an/a 1.73E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466943
PNG
(3-((2,2-difluorocyclopropyl)methyl)- 7-(4-fluoroph...)
Show SMILES Fc1ccc(cc1)-c1ccn2c(CC3CC3(F)F)nnc2c1
Show InChI InChI=1S/C16H12F3N3/c17-13-3-1-10(2-4-13)11-5-6-22-14(7-11)20-21-15(22)8-12-9-16(12,18)19/h1-7,12H,8-9H2
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n/an/a 3.19E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466944
PNG
(2-(4-(3-((2,2-difluorocyclopropyl) methyl)-[1,2,4]...)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccn2c(CC3CC3(F)F)nnc2c1
Show InChI InChI=1S/C19H19F2N3O/c1-18(2,25)14-5-3-12(4-6-14)13-7-8-24-16(9-13)22-23-17(24)10-15-11-19(15,20)21/h3-9,15,25H,10-11H2,1-2H3
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n/an/a 3.19E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466951
PNG
(8-(3-((2,2-difluorocyclopropyl) methyl)-[1,2,4]tri...)
Show SMILES FC1(F)CC1Cc1nnc2cc(ccn12)-c1cccc2cccnc12
Show InChI InChI=1S/C19H14F2N4/c20-19(21)11-14(19)10-17-24-23-16-9-13(6-8-25(16)17)15-5-1-3-12-4-2-7-22-18(12)15/h1-9,14H,10-11H2
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n/an/a>4.00E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466947
PNG
(3-((2,2-difluorocyclopropyl)methyl)- 7-(4-fluoro-3...)
Show SMILES Cc1cc(ccc1F)-c1ccn2c(CC3CC3(F)F)nnc2c1
Show InChI InChI=1S/C17H14F3N3/c1-10-6-11(2-3-14(10)18)12-4-5-23-15(7-12)21-22-16(23)8-13-9-17(13,19)20/h2-7,13H,8-9H2,1H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466941
PNG
(3-((2,2-difluorocyclopropyl)methyl)- 7-(m-tolyl)-[...)
Show SMILES Cc1cccc(c1)-c1ccn2c(CC3CC3(F)F)nnc2c1
Show InChI InChI=1S/C17H15F2N3/c1-11-3-2-4-12(7-11)13-5-6-22-15(8-13)20-21-16(22)9-14-10-17(14,18)19/h2-8,14H,9-10H2,1H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466946
PNG
(3-((2,2-difluorocyclopropyl)methyl)- 7-(4-fluoro-2...)
Show SMILES Cc1cc(F)ccc1-c1ccn2c(CC3CC3(F)F)nnc2c1
Show InChI InChI=1S/C17H14F3N3/c1-10-6-13(18)2-3-14(10)11-4-5-23-15(7-11)21-22-16(23)8-12-9-17(12,19)20/h2-7,12H,8-9H2,1H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466949
PNG
(3-((2,2-difluorocyclopropyl)methyl)- 7-(2,3-benzod...)
Show SMILES FC1(F)CC1Cc1nnc2cc(ccn12)-c1ccc2OCCc2c1
Show InChI InChI=1S/C18H15F2N3O/c19-18(20)10-14(18)9-17-22-21-16-8-12(3-5-23(16)17)11-1-2-15-13(7-11)4-6-24-15/h1-3,5,7-8,14H,4,6,9-10H2
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n/an/a>4.00E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466950
PNG
(3-((2,2-difluorocyclopropyl)methyl)- 7-(2,3-benzod...)
Show SMILES FC1(F)CC1Cc1nnc2cc(ccn12)-c1cccc2CCOc12
Show InChI InChI=1S/C18H15F2N3O/c19-18(20)10-13(18)9-16-22-21-15-8-12(4-6-23(15)16)14-3-1-2-11-5-7-24-17(11)14/h1-4,6,8,13H,5,7,9-10H2
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n/an/a>4.00E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466952
PNG
(7-(Benzo[d][1,3]dioxol-5-yl)- 3-((2,2-difluorocycl...)
Show SMILES FC1(F)CC1Cc1nnc2cc(ccn12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C17H13F2N3O2/c18-17(19)8-12(17)7-16-21-20-15-6-11(3-4-22(15)16)10-1-2-13-14(5-10)24-9-23-13/h1-6,12H,7-9H2
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n/an/a>4.00E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466953
PNG
(8-chloro-3-((2,2-difluorocyclopropyl) methyl)-7-(m...)
Show SMILES Cc1cccc(c1)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
Show InChI InChI=1S/C17H14ClF2N3/c1-10-3-2-4-11(7-10)13-5-6-23-14(8-12-9-17(12,19)20)21-22-16(23)15(13)18/h2-7,12H,8-9H2,1H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466945
PNG
(3-((2,2-difluorocyclopropyl)methyl)- 7-(3-fluoro-4...)
Show SMILES COc1ccc(cc1F)-c1ccn2c(CC3CC3(F)F)nnc2c1
Show InChI InChI=1S/C17H14F3N3O/c1-24-14-3-2-10(6-13(14)18)11-4-5-23-15(7-11)21-22-16(23)8-12-9-17(12,19)20/h2-7,12H,8-9H2,1H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM466942
PNG
(3-((2,2-Difluorocyclopropyl)methyl)- 7-(3-fluoroph...)
Show SMILES Fc1cccc(c1)-c1ccn2c(CC3CC3(F)F)nnc2c1
Show InChI InChI=1S/C16H12F3N3/c17-13-3-1-2-10(6-13)11-4-5-22-14(7-11)20-21-15(22)8-12-9-16(12,18)19/h1-7,12H,8-9H2
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US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466941
PNG
(3-((2,2-difluorocyclopropyl)methyl)- 7-(m-tolyl)-[...)
Show SMILES Cc1cccc(c1)-c1ccn2c(CC3CC3(F)F)nnc2c1
Show InChI InChI=1S/C17H15F2N3/c1-11-3-2-4-12(7-11)13-5-6-22-15(8-13)20-21-16(22)9-14-10-17(14,18)19/h2-8,14H,9-10H2,1H3
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n/an/an/an/a 143n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466959
PNG
(8-chloro-3-((2,2-difluorocyclopropyl) methyl)-7-(2...)
Show SMILES FC1(F)CC1Cc1nnc2c(Cl)c(ccn12)-c1ccc2OCCc2c1
Show InChI InChI=1S/C18H14ClF2N3O/c19-16-13(10-1-2-14-11(7-10)4-6-25-14)3-5-24-15(22-23-17(16)24)8-12-9-18(12,20)21/h1-3,5,7,12H,4,6,8-9H2
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n/an/an/an/a 215n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466961
PNG
(US10800776, Example D35)
Show SMILES C(C1CC1)c1nnc2cc(ccn12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C17H15N3O2/c1-2-11(1)7-16-18-19-17-9-13(5-6-20(16)17)12-3-4-14-15(8-12)22-10-21-14/h3-6,8-9,11H,1-2,7,10H2
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n/an/an/an/a 970n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466956
PNG
(8-chloro-3-((2,2-difluorocyclopropyl) methyl)-7-(3...)
Show SMILES COc1ccc(cc1F)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
Show InChI InChI=1S/C17H13ClF3N3O/c1-25-13-3-2-9(6-12(13)19)11-4-5-24-14(7-10-8-17(10,20)21)22-23-16(24)15(11)18/h2-6,10H,7-8H2,1H3
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n/an/an/an/a 118n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466954
PNG
(8-chloro-3-((2,2-difluorocyclopropyl) methyl)-7-(3...)
Show SMILES Fc1cccc(c1)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
Show InChI InChI=1S/C16H11ClF3N3/c17-14-12(9-2-1-3-11(18)6-9)4-5-23-13(21-22-15(14)23)7-10-8-16(10,19)20/h1-6,10H,7-8H2
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n/an/an/an/a 190n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466944
PNG
(2-(4-(3-((2,2-difluorocyclopropyl) methyl)-[1,2,4]...)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccn2c(CC3CC3(F)F)nnc2c1
Show InChI InChI=1S/C19H19F2N3O/c1-18(2,25)14-5-3-12(4-6-14)13-7-8-24-16(9-13)22-23-17(24)10-15-11-19(15,20)21/h3-9,15,25H,10-11H2,1-2H3
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n/an/an/an/a 226n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466946
PNG
(3-((2,2-difluorocyclopropyl)methyl)- 7-(4-fluoro-2...)
Show SMILES Cc1cc(F)ccc1-c1ccn2c(CC3CC3(F)F)nnc2c1
Show InChI InChI=1S/C17H14F3N3/c1-10-6-13(18)2-3-14(10)11-4-5-23-15(7-11)21-22-16(23)8-12-9-17(12,19)20/h2-7,12H,8-9H2,1H3
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n/an/an/an/a 781n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50130608
PNG
(2,2,2-Trifluoro-ethanesulfonic acid [4-(2-methoxy-...)
Show SMILES COc1ccccc1Oc1ccc(cc1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
Show InChI InChI=1S/C21H19F3N2O4S/c1-29-19-6-2-3-7-20(19)30-18-10-8-17(9-11-18)26(14-16-5-4-12-25-13-16)31(27,28)15-21(22,23)24/h2-13H,14-15H2,1H3
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US Patent
n/an/an/an/a 230n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466963
PNG
(US10800776, Example D50)
Show SMILES Clc1c(ccn2c(CC3CC3)nnc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C17H14ClN3O2/c18-16-12(11-3-4-13-14(8-11)23-9-22-13)5-6-21-15(7-10-1-2-10)19-20-17(16)21/h3-6,8,10H,1-2,7,9H2
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n/an/an/an/a 890n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466948
PNG
(Methyl 4-(3-((2,2-difluorocyclopropyl) methyl)-[1,...)
Show SMILES COC(=O)c1ccc(c(F)c1)-c1ccn2c(CC3CC3(F)F)nnc2c1
Show InChI InChI=1S/C18H14F3N3O2/c1-26-17(25)11-2-3-13(14(19)6-11)10-4-5-24-15(7-10)22-23-16(24)8-12-9-18(12,20)21/h2-7,12H,8-9H2,1H3
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n/an/an/an/a 541n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466960
PNG
(7-(Benzo[d][1,3]dioxol-5-yl)-8-chloro- 3-((2,2-dif...)
Show SMILES FC1(F)CC1Cc1nnc2c(Cl)c(ccn12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C17H12ClF2N3O2/c18-15-11(9-1-2-12-13(5-9)25-8-24-12)3-4-23-14(21-22-16(15)23)6-10-7-17(10,19)20/h1-5,10H,6-8H2
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n/an/an/an/a 62.3n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466958
PNG
(Methyl 3-Chloro-4-(8-chloro- 3-((2,2-difluorocyclo...)
Show SMILES COC(=O)c1ccc(c(Cl)c1)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
Show InChI InChI=1S/C18H13Cl2F2N3O2/c1-27-17(26)9-2-3-11(13(19)6-9)12-4-5-25-14(7-10-8-18(10,21)22)23-24-16(25)15(12)20/h2-6,10H,7-8H2,1H3
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n/an/an/an/a 230n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466955
PNG
(8-chloro-3-((2,2-difluorocyclopropyl) methyl)-7-(4...)
Show SMILES Cc1cc(F)ccc1-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
Show InChI InChI=1S/C17H13ClF3N3/c1-9-6-11(19)2-3-12(9)13-4-5-24-14(7-10-8-17(10,20)21)22-23-16(24)15(13)18/h2-6,10H,7-8H2,1H3
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n/an/an/an/a 856n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466951
PNG
(8-(3-((2,2-difluorocyclopropyl) methyl)-[1,2,4]tri...)
Show SMILES FC1(F)CC1Cc1nnc2cc(ccn12)-c1cccc2cccnc12
Show InChI InChI=1S/C19H14F2N4/c20-19(21)11-14(19)10-17-24-23-16-9-13(6-8-25(16)17)15-5-1-3-12-4-2-7-22-18(12)15/h1-9,14H,10-11H2
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n/an/an/an/a 612n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466943
PNG
(3-((2,2-difluorocyclopropyl)methyl)- 7-(4-fluoroph...)
Show SMILES Fc1ccc(cc1)-c1ccn2c(CC3CC3(F)F)nnc2c1
Show InChI InChI=1S/C16H12F3N3/c17-13-3-1-10(2-4-13)11-5-6-22-14(7-11)20-21-15(22)8-12-9-16(12,18)19/h1-7,12H,8-9H2
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n/an/an/an/a 381n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466962
PNG
(US10800776, Example D45)
Show SMILES COC(=O)c1ccc(c(F)c1)-c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C18H15ClFN3O2/c1-25-18(24)11-4-5-12(14(20)9-11)13-6-7-23-15(8-10-2-3-10)21-22-17(23)16(13)19/h4-7,9-10H,2-3,8H2,1H3
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n/an/an/an/a 910n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466945
PNG
(3-((2,2-difluorocyclopropyl)methyl)- 7-(3-fluoro-4...)
Show SMILES COc1ccc(cc1F)-c1ccn2c(CC3CC3(F)F)nnc2c1
Show InChI InChI=1S/C17H14F3N3O/c1-24-14-3-2-10(6-13(14)18)11-4-5-23-15(7-11)21-22-16(23)8-12-9-17(12,19)20/h2-7,12H,8-9H2,1H3
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n/an/an/an/a 849n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466942
PNG
(3-((2,2-Difluorocyclopropyl)methyl)- 7-(3-fluoroph...)
Show SMILES Fc1cccc(c1)-c1ccn2c(CC3CC3(F)F)nnc2c1
Show InChI InChI=1S/C16H12F3N3/c17-13-3-1-2-10(6-13)11-4-5-22-14(7-11)20-21-15(22)8-12-9-16(12,18)19/h1-7,12H,8-9H2
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n/an/an/an/a 704n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466952
PNG
(7-(Benzo[d][1,3]dioxol-5-yl)- 3-((2,2-difluorocycl...)
Show SMILES FC1(F)CC1Cc1nnc2cc(ccn12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C17H13F2N3O2/c18-17(19)8-12(17)7-16-21-20-15-6-11(3-4-22(15)16)10-1-2-13-14(5-10)24-9-23-13/h1-6,12H,7-9H2
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n/an/an/an/a 108n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466947
PNG
(3-((2,2-difluorocyclopropyl)methyl)- 7-(4-fluoro-3...)
Show SMILES Cc1cc(ccc1F)-c1ccn2c(CC3CC3(F)F)nnc2c1
Show InChI InChI=1S/C17H14F3N3/c1-10-6-11(2-3-14(10)18)12-4-5-23-15(7-12)21-22-16(23)8-13-9-17(13,19)20/h2-7,13H,8-9H2,1H3
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n/an/an/an/a 868n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466957
PNG
(Methyl 4-(8-Chloro-3- ((2,2-difluorocyclopropyl) m...)
Show SMILES COC(=O)c1ccc(c(F)c1)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
Show InChI InChI=1S/C18H13ClF3N3O2/c1-27-17(26)9-2-3-11(13(20)6-9)12-4-5-25-14(7-10-8-18(10,21)22)23-24-16(25)15(12)19/h2-6,10H,7-8H2,1H3
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n/an/an/an/a 87.9n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466953
PNG
(8-chloro-3-((2,2-difluorocyclopropyl) methyl)-7-(m...)
Show SMILES Cc1cccc(c1)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
Show InChI InChI=1S/C17H14ClF2N3/c1-10-3-2-4-11(7-10)13-5-6-23-14(8-12-9-17(12,19)20)21-22-16(23)15(13)18/h2-7,12H,8-9H2,1H3
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n/an/an/an/a 130n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466949
PNG
(3-((2,2-difluorocyclopropyl)methyl)- 7-(2,3-benzod...)
Show SMILES FC1(F)CC1Cc1nnc2cc(ccn12)-c1ccc2OCCc2c1
Show InChI InChI=1S/C18H15F2N3O/c19-18(20)10-14(18)9-17-22-21-16-8-12(3-5-23(16)17)11-1-2-15-13(7-11)4-6-24-15/h1-3,5,7-8,14H,4,6,9-10H2
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PC sid
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US Patent
n/an/an/an/a 368n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM466950
PNG
(3-((2,2-difluorocyclopropyl)methyl)- 7-(2,3-benzod...)
Show SMILES FC1(F)CC1Cc1nnc2cc(ccn12)-c1cccc2CCOc12
Show InChI InChI=1S/C18H15F2N3O/c19-18(20)10-13(18)9-16-22-21-15-8-12(4-6-23(15)16)14-3-1-2-11-5-7-24-17(11)14/h1-4,6,8,13H,5,7,9-10H2
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 825n/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from si...


US Patent US10800776 (2020)

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