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Patent code US10807993

Compile Data Set for Download or QSAR
Found 63 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))
BDBM470064
PNG
(US10807993, Example 3 | US10807993, Example 4)
Show SMILES Cc1nccn1CC(=O)N1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
Show InChI InChI=1S/C24H30ClN3O3/c1-16-26-8-11-28(16)14-21(29)27-9-6-24(7-10-27)13-19-22(30-15-24)18-12-17(25)4-5-20(18)31-23(19,2)3/h4-5,8,11-12,19,22H,6-7,9-10,13-15H2,1-3H3
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470062
PNG
(Racemate of 1-[(4′aS,10′bS)-9′-c...)
Show SMILES Cc1nccn1CC(=O)N1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
Show InChI InChI=1S/C24H30ClN3O3/c1-16-26-8-11-28(16)14-21(29)27-9-6-24(7-10-27)13-19-22(30-15-24)18-12-17(25)4-5-20(18)31-23(19,2)3/h4-5,8,11-12,19,22H,6-7,9-10,13-15H2,1-3H3
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n/an/a<300n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470071
PNG
(US10807993, Example 10)
Show SMILES Cc1nccn1CC(=O)N1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(cc12)N=[N+]=[N-]
Show InChI InChI=1S/C24H30N6O3/c1-16-26-8-11-30(16)14-21(31)29-9-6-24(7-10-29)13-19-22(32-15-24)18-12-17(27-28-25)4-5-20(18)33-23(19,2)3/h4-5,8,11-12,19,22H,6-7,9-10,13-15H2,1-3H3
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470064
PNG
(US10807993, Example 3 | US10807993, Example 4)
Show SMILES Cc1nccn1CC(=O)N1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
Show InChI InChI=1S/C24H30ClN3O3/c1-16-26-8-11-28(16)14-21(29)27-9-6-24(7-10-27)13-19-22(30-15-24)18-12-17(25)4-5-20(18)31-23(19,2)3/h4-5,8,11-12,19,22H,6-7,9-10,13-15H2,1-3H3
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n/an/a<300n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470069
PNG
(US10807993, Example 8)
Show SMILES Cc1nccn1CC(=O)N1CCC2(CC1)COC1C(C2)C(C)(C)Oc2cc(Br)ccc12
Show InChI InChI=1S/C24H30BrN3O3/c1-16-26-8-11-28(16)14-21(29)27-9-6-24(7-10-27)13-19-22(30-15-24)18-5-4-17(25)12-20(18)31-23(19,2)3/h4-5,8,11-12,19,22H,6-7,9-10,13-15H2,1-3H3
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470122
PNG
(Racemate of (4′aS,10′bR)-8′-chlo...)
Show SMILES Cc1nc[nH]c1CN1CCC2(CC1)COC1C(COc3cc(Cl)ccc13)C2
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n/an/a<300n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470066
PNG
(US10807993, Example 5)
Show SMILES Cc1nccn1CC(=O)N1CCC2(CC1)COC1C(C2)C(C)(C)Oc2cc(Cl)ccc12
Show InChI InChI=1S/C24H30ClN3O3/c1-16-26-8-11-28(16)14-21(29)27-9-6-24(7-10-27)13-19-22(30-15-24)18-5-4-17(25)12-20(18)31-23(19,2)3/h4-5,8,11-12,19,22H,6-7,9-10,13-15H2,1-3H3
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470075
PNG
(US10807993, Example 14)
Show SMILES Cc1c(CO)ncn1CC(=O)N1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
Show InChI InChI=1S/C25H32ClN3O4/c1-16-20(13-30)27-15-29(16)12-22(31)28-8-6-25(7-9-28)11-19-23(32-14-25)18-10-17(26)4-5-21(18)33-24(19,2)3/h4-5,10,15,19,23,30H,6-9,11-14H2,1-3H3
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470070
PNG
(US10807993, Example 9)
Show SMILES Cc1nccn1CC(=O)N1CCC2(CC1)COC1C(C2)C(C)(C)Oc2c(Br)cccc12
Show InChI InChI=1S/C24H30BrN3O3/c1-16-26-9-12-28(16)14-20(29)27-10-7-24(8-11-27)13-18-21(30-15-24)17-5-4-6-19(25)22(17)31-23(18,2)3/h4-6,9,12,18,21H,7-8,10-11,13-15H2,1-3H3
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470067
PNG
(US10807993, Example 6)
Show SMILES Cc1nccn1CC(=O)N1CCC2(CC1)COC1C(C2)C(C)(C)Oc2c(Cl)cccc12
Show InChI InChI=1S/C24H30ClN3O3/c1-16-26-9-12-28(16)14-20(29)27-10-7-24(8-11-27)13-18-21(30-15-24)17-5-4-6-19(25)22(17)31-23(18,2)3/h4-6,9,12,18,21H,7-8,10-11,13-15H2,1-3H3
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470063
PNG
(US10807993, Example 2)
Show SMILES Cc1nccn1CC(=O)N1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(F)cc12
Show InChI InChI=1S/C24H30FN3O3/c1-16-26-8-11-28(16)14-21(29)27-9-6-24(7-10-27)13-19-22(30-15-24)18-12-17(25)4-5-20(18)31-23(19,2)3/h4-5,8,11-12,19,22H,6-7,9-10,13-15H2,1-3H3
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470068
PNG
(US10807993, Example 7)
Show SMILES Cc1nccn1CC(=O)N1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Br)cc12
Show InChI InChI=1S/C24H30BrN3O3/c1-16-26-8-11-28(16)14-21(29)27-9-6-24(7-10-27)13-19-22(30-15-24)18-12-17(25)4-5-20(18)31-23(19,2)3/h4-5,8,11-12,19,22H,6-7,9-10,13-15H2,1-3H3
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470104
PNG
(US10807993, Example 44 | US10807993, Example 45)
Show SMILES Cc1nccn1CCN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2ccc(F)cc12
Show InChI InChI=1S/C24H32FN3O2/c1-17-26-8-11-28(17)13-12-27-9-6-24(7-10-27)15-20-22(29-16-24)19-14-18(25)4-5-21(19)30-23(20,2)3/h4-5,8,11,14,20,22H,6-7,9-10,12-13,15-16H2,1-3H3
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470119
PNG
(US10807993, Example 59)
Show SMILES COC(=O)c1cn(CCN2CCC3(CC2)COC2C(C3)C(C)(C)Oc3ccc(Cl)cc23)cn1
Show InChI InChI=1S/C25H32ClN3O4/c1-24(2)19-13-25(15-32-22(19)18-12-17(26)4-5-21(18)33-24)6-8-28(9-7-25)10-11-29-14-20(27-16-29)23(30)31-3/h4-5,12,14,16,19,22H,6-11,13,15H2,1-3H3
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470079
PNG
(Racemate of (4′aR,10′bR)-8′-chlo...)
Show SMILES Cc1nc[nH]c1CN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2cc(Cl)ccc12
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470086
PNG
(US10807993, Example 25 | US10807993, Example 26)
Show SMILES Cc1nc[nH]c1CN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470088
PNG
(US10807993, Example 27)
Show SMILES Cc1nc[nH]c1CN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2c(Cl)cccc12
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470122
PNG
(Racemate of (4′aS,10′bR)-8′-chlo...)
Show SMILES Cc1nc[nH]c1CN1CCC2(CC1)COC1C(COc3cc(Cl)ccc13)C2
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470079
PNG
(Racemate of (4′aR,10′bR)-8′-chlo...)
Show SMILES Cc1nc[nH]c1CN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2cc(Cl)ccc12
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470086
PNG
(US10807993, Example 25 | US10807993, Example 26)
Show SMILES Cc1nc[nH]c1CN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
PDB
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470122
PNG
(Racemate of (4′aS,10′bR)-8′-chlo...)
Show SMILES Cc1nc[nH]c1CN1CCC2(CC1)COC1C(COc3cc(Cl)ccc13)C2
PDB
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470089
PNG
(US10807993, Example 28)
Show SMILES CCc1nc(C)c(CN2CCC3(CC2)COC2C(C3)C(C)(C)Oc3ccc(Cl)cc23)[nH]1
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470101
PNG
(US10807993, Example 41 | US10807993, Example 42)
Show SMILES CC1(C)Oc2cc(Cl)ccc2C2OC[C@]3(CCN(CCn4ccnc4)CC3)CC12
Show InChI InChI=1S/C23H30ClN3O2/c1-22(2)19-14-23(5-8-26(9-6-23)11-12-27-10-7-25-16-27)15-28-21(19)18-4-3-17(24)13-20(18)29-22/h3-4,7,10,13,16,19,21H,5-6,8-9,11-12,14-15H2,1-2H3
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n/an/a 700n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470113
PNG
(US10807993, Example 53)
Show SMILES CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(CCn4ccnc4CO)CC3)CC12
Show InChI InChI=1S/C24H32ClN3O3/c1-23(2)19-14-24(16-30-22(19)18-13-17(25)3-4-20(18)31-23)5-8-27(9-6-24)11-12-28-10-7-26-21(28)15-29/h3-4,7,10,13,19,22,29H,5-6,8-9,11-12,14-16H2,1-2H3
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n/an/a 800n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470093
PNG
(US10807993, Example 32)
Show SMILES Cn1cncc1CN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
Show InChI InChI=1S/C23H30ClN3O2/c1-22(2)19-11-23(6-8-27(9-7-23)13-17-12-25-15-26(17)3)14-28-21(19)18-10-16(24)4-5-20(18)29-22/h4-5,10,12,15,19,21H,6-9,11,13-14H2,1-3H3
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470107
PNG
(US10807993, Example 47 | US10807993, Example 48)
Show SMILES Cc1nccn1CCN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
Show InChI InChI=1S/C24H32ClN3O2/c1-17-26-8-11-28(17)13-12-27-9-6-24(7-10-27)15-20-22(29-16-24)19-14-18(25)4-5-21(19)30-23(20,2)3/h4-5,8,11,14,20,22H,6-7,9-10,12-13,15-16H2,1-3H3
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470098
PNG
(Racemate of (4′aR,10′bR)-8′-chlo...)
Show SMILES CC1(C)Oc2cc(Cl)ccc2C2OCC3(CCN(CCn4ccnc4)CC3)CC12
Show InChI InChI=1S/C23H30ClN3O2/c1-22(2)19-14-23(5-8-26(9-6-23)11-12-27-10-7-25-16-27)15-28-21(19)18-4-3-17(24)13-20(18)29-22/h3-4,7,10,13,16,19,21H,5-6,8-9,11-12,14-15H2,1-2H3
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470116
PNG
(US10807993, Example 56)
Show SMILES Cc1c(CO)ncn1CCN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
Show InChI InChI=1S/C25H34ClN3O3/c1-17-21(14-30)27-16-29(17)11-10-28-8-6-25(7-9-28)13-20-23(31-15-25)19-12-18(26)4-5-22(19)32-24(20,2)3/h4-5,12,16,20,23,30H,6-11,13-15H2,1-3H3
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470110
PNG
(US10807993, Example 50 | US10807993, Example 51)
Show SMILES Cc1nccn1CCN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2cc(Cl)ccc12
Show InChI InChI=1S/C24H32ClN3O2/c1-17-26-8-11-28(17)13-12-27-9-6-24(7-10-27)15-20-22(29-16-24)19-5-4-18(25)14-21(19)30-23(20,2)3/h4-5,8,11,14,20,22H,6-7,9-10,12-13,15-16H2,1-3H3
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470097
PNG
(US10807993, Example 36)
Show SMILES Cn1ccnc1CN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
Show InChI InChI=1S/C23H30ClN3O2/c1-22(2)18-13-23(6-9-27(10-7-23)14-20-25-8-11-26(20)3)15-28-21(18)17-12-16(24)4-5-19(17)29-22/h4-5,8,11-12,18,21H,6-7,9-10,13-15H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470103
PNG
(US10807993, Example 43)
Show SMILES Cc1nccn1CCN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(F)cc12
Show InChI InChI=1S/C24H32FN3O2/c1-17-26-8-11-28(17)13-12-27-9-6-24(7-10-27)15-20-22(29-16-24)19-14-18(25)4-5-21(19)30-23(20,2)3/h4-5,8,11,14,20,22H,6-7,9-10,12-13,15-16H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470099
PNG
(US10807993, Example 39)
Show SMILES CC1(C)Oc2ccc(F)cc2C2OCC3(CCN(CCn4ccnc4)CC3)CC12
Show InChI InChI=1S/C23H30FN3O2/c1-22(2)19-14-23(5-8-26(9-6-23)11-12-27-10-7-25-16-27)15-28-21(19)18-13-17(24)3-4-20(18)29-22/h3-4,7,10,13,16,19,21H,5-6,8-9,11-12,14-15H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470120
PNG
(US10807993, Example 60)
Show SMILES CC(=O)NCCc1nccn1CCN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
Show InChI InChI=1S/C27H37ClN4O3/c1-19(33)29-9-6-24-30-10-13-32(24)15-14-31-11-7-27(8-12-31)17-22-25(34-18-27)21-16-20(28)4-5-23(21)35-26(22,2)3/h4-5,10,13,16,22,25H,6-9,11-12,14-15,17-18H2,1-3H3,(H,29,33)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470117
PNG
(US10807993, Example 57)
Show SMILES Cc1nc(CO)cn1CCN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2cc(Cl)ccc12
Show InChI InChI=1S/C25H34ClN3O3/c1-17-27-19(15-30)14-29(17)11-10-28-8-6-25(7-9-28)13-21-23(31-16-25)20-5-4-18(26)12-22(20)32-24(21,2)3/h4-5,12,14,21,23,30H,6-11,13,15-16H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470106
PNG
(US10807993, Example 46)
Show SMILES Cc1nccn1CCN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
Show InChI InChI=1S/C24H32ClN3O2/c1-17-26-8-11-28(17)13-12-27-9-6-24(7-10-27)15-20-22(29-16-24)19-14-18(25)4-5-21(19)30-23(20,2)3/h4-5,8,11,14,20,22H,6-7,9-10,12-13,15-16H2,1-3H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470074
PNG
(US10807993, Example 13)
Show SMILES CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(CC3)C(=O)Cn3cnc(CO)c3)CC12
Show InChI InChI=1S/C24H30ClN3O4/c1-23(2)19-10-24(14-31-22(19)18-9-16(25)3-4-20(18)32-23)5-7-28(8-6-24)21(30)12-27-11-17(13-29)26-15-27/h3-4,9,11,15,19,22,29H,5-8,10,12-14H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470114
PNG
(US10807993, Example 54)
Show SMILES CC1(C)Oc2cc(Cl)ccc2C2OCC3(CCN(CCn4ccnc4CO)CC3)CC12
Show InChI InChI=1S/C24H32ClN3O3/c1-23(2)19-14-24(16-30-22(19)18-4-3-17(25)13-20(18)31-23)5-8-27(9-6-24)11-12-28-10-7-26-21(28)15-29/h3-4,7,10,13,19,22,29H,5-6,8-9,11-12,14-16H2,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470109
PNG
(US10807993, Example 49)
Show SMILES Cc1nccn1CCN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2cc(Cl)ccc12
Show InChI InChI=1S/C24H32ClN3O2/c1-17-26-8-11-28(17)13-12-27-9-6-24(7-10-27)15-20-22(29-16-24)19-5-4-18(25)14-21(19)30-23(20,2)3/h4-5,8,11,14,20,22H,6-7,9-10,12-13,15-16H2,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470082
PNG
(US10807993, Example 21 | US10807993, Example 22 | ...)
Show SMILES Cc1nc[nH]c1CN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2ccc(F)cc12
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n/an/a 1.40E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470100
PNG
(US10807993, Example 40)
Show SMILES CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(CCn4ccnc4)CC3)CC12
Show InChI InChI=1S/C23H30ClN3O2/c1-22(2)19-14-23(5-8-26(9-6-23)11-12-27-10-7-25-16-27)15-28-21(19)18-13-17(24)3-4-20(18)29-22/h3-4,7,10,13,16,19,21H,5-6,8-9,11-12,14-15H2,1-2H3
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470095
PNG
(US10807993, Example 34)
Show SMILES Cn1cncc1CN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2c(Cl)cccc12
Show InChI InChI=1S/C23H30ClN3O2/c1-22(2)18-11-23(7-9-27(10-8-23)13-16-12-25-15-26(16)3)14-28-20(18)17-5-4-6-19(24)21(17)29-22/h4-6,12,15,18,20H,7-11,13-14H2,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470079
PNG
(Racemate of (4′aR,10′bR)-8′-chlo...)
Show SMILES Cc1nc[nH]c1CN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2cc(Cl)ccc12
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n/an/a 1.40E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470094
PNG
(US10807993, Example 33)
Show SMILES Cn1cncc1CN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2cc(Cl)ccc12
Show InChI InChI=1S/C23H30ClN3O2/c1-22(2)19-11-23(6-8-27(9-7-23)13-17-12-25-15-26(17)3)14-28-21(19)18-5-4-16(24)10-20(18)29-22/h4-5,10,12,15,19,21H,6-9,11,13-14H2,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470101
PNG
(US10807993, Example 41 | US10807993, Example 42)
Show SMILES CC1(C)Oc2cc(Cl)ccc2C2OC[C@]3(CCN(CCn4ccnc4)CC3)CC12
Show InChI InChI=1S/C23H30ClN3O2/c1-22(2)19-14-23(5-8-26(9-6-23)11-12-27-10-7-25-16-27)15-28-21(19)18-4-3-17(24)13-20(18)29-22/h3-4,7,10,13,16,19,21H,5-6,8-9,11-12,14-15H2,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470092
PNG
(US10807993, Example 31)
Show SMILES Cn1cncc1CN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(F)cc12
Show InChI InChI=1S/C23H30FN3O2/c1-22(2)19-11-23(6-8-27(9-7-23)13-17-12-25-15-26(17)3)14-28-21(19)18-10-16(24)4-5-20(18)29-22/h4-5,10,12,15,19,21H,6-9,11,13-14H2,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470082
PNG
(US10807993, Example 21 | US10807993, Example 22 | ...)
Show SMILES Cc1nc[nH]c1CN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2ccc(F)cc12
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n/an/a 1.50E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470110
PNG
(US10807993, Example 50 | US10807993, Example 51)
Show SMILES Cc1nccn1CCN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2cc(Cl)ccc12
Show InChI InChI=1S/C24H32ClN3O2/c1-17-26-8-11-28(17)13-12-27-9-6-24(7-10-27)15-20-22(29-16-24)19-5-4-18(25)14-21(19)30-23(20,2)3/h4-5,8,11,14,20,22H,6-7,9-10,12-13,15-16H2,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470112
PNG
(US10807993, Example 52)
Show SMILES CC1(C)Oc2ccc(F)cc2C2OCC3(CCN(CCn4ccnc4CO)CC3)CC12
Show InChI InChI=1S/C24H32FN3O3/c1-23(2)19-14-24(16-30-22(19)18-13-17(25)3-4-20(18)31-23)5-8-27(9-6-24)11-12-28-10-7-26-21(28)15-29/h3-4,7,10,13,19,22,29H,5-6,8-9,11-12,14-16H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470076
PNG
(US10807993, Example 15)
Show SMILES CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(CC3)C(=O)Cn3ccnc3CO)CC12
Show InChI InChI=1S/C24H30ClN3O4/c1-23(2)18-12-24(15-31-22(18)17-11-16(25)3-4-19(17)32-23)5-8-27(9-6-24)21(30)13-28-10-7-26-20(28)14-29/h3-4,7,10-11,18,22,29H,5-6,8-9,12-15H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470082
PNG
(US10807993, Example 21 | US10807993, Example 22 | ...)
Show SMILES Cc1nc[nH]c1CN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2ccc(F)cc12
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n/an/a 1.60E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470115
PNG
(US10807993, Example 55)
Show SMILES CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(CCn4cnc(CO)c4)CC3)CC12
Show InChI InChI=1S/C24H32ClN3O3/c1-23(2)20-12-24(15-30-22(20)19-11-17(25)3-4-21(19)31-23)5-7-27(8-6-24)9-10-28-13-18(14-29)26-16-28/h3-4,11,13,16,20,22,29H,5-10,12,14-15H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470091
PNG
(US10807993, Example 30)
Show SMILES Cc1nc(CN2CCC3(CC2)COC2C(C3)C(C)(C)Oc3ccc(Cl)cc23)c[nH]1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470077
PNG
(US10807993, Example 16)
Show SMILES CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(CC3)C(=O)Cn3cnc(CF)c3)CC12
Show InChI InChI=1S/C24H29ClFN3O3/c1-23(2)19-10-24(14-31-22(19)18-9-16(25)3-4-20(18)32-23)5-7-29(8-6-24)21(30)13-28-12-17(11-26)27-15-28/h3-4,9,12,15,19,22H,5-8,10-11,13-14H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470118
PNG
(US10807993, Example 58)
Show SMILES CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(CCn4ccnc4C#N)CC3)CC12
Show InChI InChI=1S/C24H29ClN4O2/c1-23(2)19-14-24(16-30-22(19)18-13-17(25)3-4-20(18)31-23)5-8-28(9-6-24)11-12-29-10-7-27-21(29)15-26/h3-4,7,10,13,19,22H,5-6,8-9,11-12,14,16H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470107
PNG
(US10807993, Example 47 | US10807993, Example 48)
Show SMILES Cc1nccn1CCN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
Show InChI InChI=1S/C24H32ClN3O2/c1-17-26-8-11-28(17)13-12-27-9-6-24(7-10-27)15-20-22(29-16-24)19-14-18(25)4-5-21(19)30-23(20,2)3/h4-5,8,11,14,20,22H,6-7,9-10,12-13,15-16H2,1-3H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470090
PNG
(US10807993, Example 29)
Show SMILES CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(Cc4c[nH]cn4)CC3)CC12
PDB
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n/an/a 2.60E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470073
PNG
(US10807993, Example 12)
Show SMILES CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(CC3)C(=O)Cn3ccnc3C#N)CC12
Show InChI InChI=1S/C24H27ClN4O3/c1-23(2)18-12-24(15-31-22(18)17-11-16(25)3-4-19(17)32-23)5-8-28(9-6-24)21(30)14-29-10-7-27-20(29)13-26/h3-4,7,10-11,18,22H,5-6,8-9,12,14-15H2,1-2H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470078
PNG
(US10807993, Example 17)
Show SMILES CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(CC3)C(=O)Cn3cnc(c3)C(F)(F)F)CC12
Show InChI InChI=1S/C24H27ClF3N3O3/c1-22(2)17-10-23(13-33-21(17)16-9-15(25)3-4-18(16)34-22)5-7-31(8-6-23)20(32)12-30-11-19(29-14-30)24(26,27)28/h3-4,9,11,14,17,21H,5-8,10,12-13H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470096
PNG
(US10807993, Example 35)
Show SMILES CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(Cc4ncc[nH]4)CC3)CC12
PDB
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n/an/a 3.50E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470104
PNG
(US10807993, Example 44 | US10807993, Example 45)
Show SMILES Cc1nccn1CCN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2ccc(F)cc12
Show InChI InChI=1S/C24H32FN3O2/c1-17-26-8-11-28(17)13-12-27-9-6-24(7-10-27)15-20-22(29-16-24)19-14-18(25)4-5-21(19)30-23(20,2)3/h4-5,8,11,14,20,22H,6-7,9-10,12-13,15-16H2,1-3H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470085
PNG
(US10807993, Example 24)
Show SMILES Cc1nc[nH]c1CN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
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n/an/a 3.80E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470072
PNG
(US10807993, Example 11)
Show SMILES CC1(C)Oc2ccc(cc2C2OCC3(CCN(CC3)C(=O)Cn3ccnc3C#N)CC12)N=[N+]=[N-]
Show InChI InChI=1S/C24H27N7O3/c1-23(2)18-12-24(15-33-22(18)17-11-16(28-29-26)3-4-19(17)34-23)5-8-30(9-6-24)21(32)14-31-10-7-27-20(31)13-25/h3-4,7,10-11,18,22H,5-6,8-9,12,14-15H2,1-2H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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


(Homo sapiens (Human))
BDBM470121
PNG
(US10807993, Example 62)
Show SMILES CC1(C)Oc2cc(Cl)ccc2C2OCC3(CCN(CCn4ccnc4CCN)CC3)CC12
Show InChI InChI=1S/C25H35ClN4O2/c1-24(2)20-16-25(17-31-23(20)19-4-3-18(26)15-21(19)32-24)6-10-29(11-7-25)13-14-30-12-9-28-22(30)5-8-27/h3-4,9,12,15,20,23H,5-8,10-11,13-14,16-17,27H2,1-2H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. T...


US Patent US10807993 (2020)

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