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Patent code US8552199

Compile Data Set for Download or QSAR
Found 24 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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103315
PNG
(US8552199, 1-31)
Show SMILES CN([C@@H]1Cc2ccc(CN3CCC3)cc2C1)C(=O)c1ccc(OCC2CC2)cc1 |r|
Show InChI InChI=1S/C25H30N2O2/c1-26(25(28)20-7-9-24(10-8-20)29-17-18-3-4-18)23-14-21-6-5-19(13-22(21)15-23)16-27-11-2-12-27/h5-10,13,18,23H,2-4,11-12,14-17H2,1H3/t23-/m1/s1
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Sanofi

US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103319
PNG
(US8552199, 1-38)
Show SMILES CN([C@@H]1Cc2ccc(CN3CC[C@H](O)C3)cc2C1)C(=O)c1ccc(OCC2CC2)cc1 |r|
Show InChI InChI=1S/C26H32N2O3/c1-27(26(30)20-6-8-25(9-7-20)31-17-18-2-3-18)23-13-21-5-4-19(12-22(21)14-23)15-28-11-10-24(29)16-28/h4-9,12,18,23-24,29H,2-3,10-11,13-17H2,1H3/t23-,24+/m1/s1
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Sanofi

US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103314
PNG
(US8552199, 1-27)
Show SMILES COCCCNCc1ccc2C[C@H](Cc2c1)N(C)C(=O)c1ccc(OCC2CC2)cc1 |r|
Show InChI InChI=1S/C26H34N2O3/c1-28(26(29)21-8-10-25(11-9-21)31-18-19-4-5-19)24-15-22-7-6-20(14-23(22)16-24)17-27-12-3-13-30-2/h6-11,14,19,24,27H,3-5,12-13,15-18H2,1-2H3/t24-/m1/s1
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Sanofi

US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103317
PNG
(US8552199, 1-34)
Show SMILES CN([C@@H]1Cc2ccc(CNCC3(C)CC3)cc2C1)C(=O)c1ccc(OCC2CC2)cc1 |r|
Show InChI InChI=1S/C27H34N2O2/c1-27(11-12-27)18-28-16-20-5-6-22-14-24(15-23(22)13-20)29(2)26(30)21-7-9-25(10-8-21)31-17-19-3-4-19/h5-10,13,19,24,28H,3-4,11-12,14-18H2,1-2H3/t24-/m1/s1
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Sanofi

US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103312
PNG
(US8552199, 1-15)
Show SMILES CN([C@@H]1Cc2ccc(CNCC3CCOCC3)cc2C1)C(=O)c1ccc(OCC2CC2)cc1 |r|
Show InChI InChI=1S/C28H36N2O3/c1-30(28(31)23-6-8-27(9-7-23)33-19-21-2-3-21)26-15-24-5-4-22(14-25(24)16-26)18-29-17-20-10-12-32-13-11-20/h4-9,14,20-21,26,29H,2-3,10-13,15-19H2,1H3/t26-/m1/s1
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Sanofi

US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103311
PNG
(US8552199, 1-09)
Show SMILES CN([C@@H]1Cc2ccc(CN3CCCCCC3)cc2C1)C(=O)c1ccc(OCC2CC2)cc1 |r|
Show InChI InChI=1S/C28H36N2O2/c1-29(28(31)23-10-12-27(13-11-23)32-20-21-6-7-21)26-17-24-9-8-22(16-25(24)18-26)19-30-14-4-2-3-5-15-30/h8-13,16,21,26H,2-7,14-15,17-20H2,1H3/t26-/m1/s1
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Sanofi

US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103322
PNG
(US8552199, 1-46)
Show SMILES CN([C@@H]1Cc2ccc(CNCC(C)(C)C)cc2C1)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 |r|
Show InChI InChI=1S/C28H38N2O3/c1-28(2,3)19-29-17-20-7-8-22-15-24(16-23(22)14-20)30(4)27(31)21-9-11-25(12-10-21)33-18-26-6-5-13-32-26/h7-12,14,24,26,29H,5-6,13,15-19H2,1-4H3/t24-,26+/m1/s1
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Sanofi

US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103313
PNG
(US8552199, 1-23)
Show SMILES CN([C@@H]1Cc2ccc(CNCC(C)(C)C)cc2C1)C(=O)c1ccc(OCC2CC2)cc1 |r|
Show InChI InChI=1S/C27H36N2O2/c1-27(2,3)18-28-16-20-7-8-22-14-24(15-23(22)13-20)29(4)26(30)21-9-11-25(12-10-21)31-17-19-5-6-19/h7-13,19,24,28H,5-6,14-18H2,1-4H3/t24-/m1/s1
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Sanofi

US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103316
PNG
(US8552199, 1-32)
Show SMILES CCN(C)Cc1ccc2C[C@H](Cc2c1)N(C)C(=O)c1ccc(OCC2CC2)cc1 |r|
Show InChI InChI=1S/C25H32N2O2/c1-4-26(2)16-19-7-8-21-14-23(15-22(21)13-19)27(3)25(28)20-9-11-24(12-10-20)29-17-18-5-6-18/h7-13,18,23H,4-6,14-17H2,1-3H3/t23-/m1/s1
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Sanofi

US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103329
PNG
(US8552199, 1-72)
Show SMILES CCCCOc1ccc(nc1)C(=O)N(C)[C@@H]1Cc2ccc(CNCC3(C)CCOCC3)cc2C1 |r|
Show InChI InChI=1S/C28H39N3O3/c1-4-5-12-34-25-8-9-26(30-19-25)27(32)31(3)24-16-22-7-6-21(15-23(22)17-24)18-29-20-28(2)10-13-33-14-11-28/h6-9,15,19,24,29H,4-5,10-14,16-18,20H2,1-3H3/t24-/m1/s1
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US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103327
PNG
(US8552199, 1-62)
Show SMILES CCCCOc1ccc(nc1)C(=O)N(C)[C@@H]1Cc2ccc(CN3C[C@@H]4CC[C@H]3C4)cc2C1 |r,THB:21:22:26.25:28|
Show InChI InChI=1S/C27H35N3O2/c1-3-4-11-32-25-9-10-26(28-16-25)27(31)29(2)24-14-21-7-5-19(12-22(21)15-24)17-30-18-20-6-8-23(30)13-20/h5,7,9-10,12,16,20,23-24H,3-4,6,8,11,13-15,17-18H2,1-2H3/t20-,23+,24-/m1/s1
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US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103330
PNG
(US8552199, 1-81)
Show SMILES CN([C@@H]1Cc2ccc(CN3CCCCC3)cc2C1)C(=O)c1ccc(OCC2CC2)cn1 |r|
Show InChI InChI=1S/C26H33N3O2/c1-28(26(30)25-10-9-24(16-27-25)31-18-19-5-6-19)23-14-21-8-7-20(13-22(21)15-23)17-29-11-3-2-4-12-29/h7-10,13,16,19,23H,2-6,11-12,14-15,17-18H2,1H3/t23-/m1/s1
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US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103328
PNG
(US8552199, 1-66)
Show SMILES CCCCOc1ccc(nc1)C(=O)N(C)[C@@H]1Cc2ccc(CNC[C@@H]3CCCO3)cc2C1 |r|
Show InChI InChI=1S/C26H35N3O3/c1-3-4-11-31-24-9-10-25(28-18-24)26(30)29(2)22-14-20-8-7-19(13-21(20)15-22)16-27-17-23-6-5-12-32-23/h7-10,13,18,22-23,27H,3-6,11-12,14-17H2,1-2H3/t22-,23+/m1/s1
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US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103318
PNG
(US8552199, 1-36)
Show SMILES CC[C@H](C)NCc1ccc2C[C@H](Cc2c1)N(C)C(=O)c1ccc(OCC2CC2)cc1 |r|
Show InChI InChI=1S/C26H34N2O2/c1-4-18(2)27-16-20-7-8-22-14-24(15-23(22)13-20)28(3)26(29)21-9-11-25(12-10-21)30-17-19-5-6-19/h7-13,18-19,24,27H,4-6,14-17H2,1-3H3/t18-,24+/m0/s1
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US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103320
PNG
(US8552199, 1-40)
Show SMILES CC1(C)CCN(Cc2ccc3C[C@H](Cc3c2)NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 |r|
Show InChI InChI=1S/C29H38N2O3/c1-29(2)11-13-31(14-12-29)19-21-5-6-23-17-25(18-24(23)16-21)30-28(32)22-7-9-26(10-8-22)34-20-27-4-3-15-33-27/h5-10,16,25,27H,3-4,11-15,17-20H2,1-2H3,(H,30,32)/t25-,27+/m1/s1
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US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103321
PNG
(US8552199, 1-42)
Show SMILES CC(C)(C)CNCc1ccc2C[C@H](Cc2c1)NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 |r|
Show InChI InChI=1S/C27H36N2O3/c1-27(2,3)18-28-16-19-6-7-21-14-23(15-22(21)13-19)29-26(30)20-8-10-24(11-9-20)32-17-25-5-4-12-31-25/h6-11,13,23,25,28H,4-5,12,14-18H2,1-3H3,(H,29,30)/t23-,25+/m1/s1
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Sanofi

US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103323
PNG
(US8552199, 1-47)
Show SMILES CN([C@@H]1Cc2ccc(CN3CC4CCC3CC4)cc2C1)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 |r,wU:28.31,2.1,TLB:8:9:13.12:15.16,(-.73,-1.59,;-.33,-.1,;1.21,-.1,;2.11,-1.34,;3.58,-.87,;4.91,-1.64,;6.25,-.87,;6.25,.67,;7.58,1.44,;8.91,.67,;9.72,-.75,;11.05,-.77,;11.41,1.24,;10.54,2.38,;10.18,.67,;12.32,-.94,;11.81,-2.48,;4.91,1.44,;3.58,.67,;2.11,1.15,;-1.42,.99,;-1.02,2.48,;-2.91,.59,;-3.31,-.9,;-4.79,-1.29,;-5.88,-.21,;-7.37,-.6,;-8.46,.48,;-9.95,.09,;-10.85,1.33,;-12.32,.86,;-12.32,-.68,;-10.85,-1.16,;-5.48,1.28,;-4,1.68,)|
Show InChI InChI=1S/C30H38N2O3/c1-31(30(33)23-8-12-28(13-9-23)35-20-29-3-2-14-34-29)27-16-24-7-4-22(15-25(24)17-27)19-32-18-21-5-10-26(32)11-6-21/h4,7-9,12-13,15,21,26-27,29H,2-3,5-6,10-11,14,16-20H2,1H3/t21?,26?,27-,29+/m1/s1
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Sanofi

US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103332
PNG
(US8552199, 2)
Show SMILES CCCCOc1ccc(cc1)C(=O)N(C)[C@@H]1Cc2ccc(cc2C1)[C@H]1CCCN1 |r|
Show InChI InChI=1S/C25H32N2O2/c1-3-4-14-29-23-11-9-18(10-12-23)25(28)27(2)22-16-19-7-8-20(15-21(19)17-22)24-6-5-13-26-24/h7-12,15,22,24,26H,3-6,13-14,16-17H2,1-2H3/t22-,24-/m1/s1
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Sanofi

US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103310
PNG
(US8552199, 1-05)
Show SMILES CN([C@@H]1Cc2ccc(CN3CCC(CC3)C(C)(C)O)cc2C1)C(=O)c1ccc(OCC2CC2)cc1 |r|
Show InChI InChI=1S/C30H40N2O3/c1-30(2,34)26-12-14-32(15-13-26)19-22-6-7-24-17-27(18-25(24)16-22)31(3)29(33)23-8-10-28(11-9-23)35-20-21-4-5-21/h6-11,16,21,26-27,34H,4-5,12-15,17-20H2,1-3H3/t27-/m1/s1
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Sanofi

US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103324
PNG
(US8552199, 1-50)
Show SMILES O=C(N[C@@H]1Cc2ccc(CN3CCCCCC3)cc2C1)c1ccc(OC[C@@H]2CCCO2)cn1 |r|
Show InChI InChI=1S/C27H35N3O3/c31-27(26-10-9-24(17-28-26)33-19-25-6-5-13-32-25)29-23-15-21-8-7-20(14-22(21)16-23)18-30-11-3-1-2-4-12-30/h7-10,14,17,23,25H,1-6,11-13,15-16,18-19H2,(H,29,31)/t23-,25+/m1/s1
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n/an/a 766n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103331
PNG
(US8552199, 1-90)
Show SMILES O=C1N(CCc2cc(OC[C@@H]3CCCO3)ccc12)[C@@H]1Cc2ccc(CNC3CCCCC3)cc2C1 |r|
Show InChI InChI=1S/C30H38N2O3/c33-30-29-11-10-27(35-20-28-7-4-14-34-28)18-23(29)12-13-32(30)26-16-22-9-8-21(15-24(22)17-26)19-31-25-5-2-1-3-6-25/h8-11,15,18,25-26,28,31H,1-7,12-14,16-17,19-20H2/t26-,28+/m1/s1
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n/an/a 777n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103325
PNG
(US8552199, 1-55)
Show SMILES O=C(N[C@@H]1Cc2ccc(CNCCC3CC3)cc2C1)c1ccc(OCC2CC2)cn1 |r|
Show InChI InChI=1S/C25H31N3O2/c29-25(24-8-7-23(15-27-24)30-16-18-3-4-18)28-22-12-20-6-5-19(11-21(20)13-22)14-26-10-9-17-1-2-17/h5-8,11,15,17-18,22,26H,1-4,9-10,12-14,16H2,(H,28,29)/t22-/m1/s1
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n/an/a 848n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103326
PNG
(US8552199, 1-58)
Show SMILES CC1(CNCc2ccc3C[C@H](Cc3c2)NC(=O)c2ccc(OCC3CC3)cn2)CC1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-25(8-9-25)16-26-13-18-4-5-19-11-21(12-20(19)10-18)28-24(29)23-7-6-22(14-27-23)30-15-17-2-3-17/h4-7,10,14,17,21,26H,2-3,8-9,11-13,15-16H2,1H3,(H,28,29)/t21-/m1/s1
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n/an/a 1.04E+3n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM103333
PNG
(US8552199, 3-1)
Show SMILES CN([C@@H]1Cc2ccc(cc2C1)C1CCCN1C)C(=O)c1ccc(OCC2CC2)cn1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-27-11-3-4-24(27)19-8-7-18-13-21(14-20(18)12-19)28(2)25(29)23-10-9-22(15-26-23)30-16-17-5-6-17/h7-10,12,15,17,21,24H,3-6,11,13-14,16H2,1-2H3/t21-,24?/m1/s1
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n/an/a 1.14E+3n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Calcium mobilization assay using MCHR1.


US Patent US8552199 (2013)


BindingDB Entry DOI: 10.7270/Q21N7ZRK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%