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Compile Data Set for Download or QSAR

Found 2142 hits with Last Name = 'dodd' and Initial = 'jh'   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16318
PNG
(3-({5-cyano-6-[(2,2-dimethylpropyl)(methyl)amino]-...)
Show SMILES CNc1nc(Nc2cc(ccc2C)C(=O)NOC)c(C#N)c(n1)N(C)CC(C)(C)C
Show InChI InChI=1S/C21H29N7O2/c1-13-8-9-14(19(29)27-30-7)10-16(13)24-17-15(11-22)18(26-20(23-5)25-17)28(6)12-21(2,3)4/h8-10H,12H2,1-7H3,(H,27,29)(H2,23,24,25,26)
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0.0470 -58.4n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16319
PNG
(3-({2-amino-5-cyano-6-[(2,2-dimethylpropyl)(methyl...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(N)nc(N(C)CC(C)(C)C)c2C#N)c1
Show InChI InChI=1S/C20H27N7O2/c1-12-7-8-13(18(28)26-29-6)9-15(12)23-16-14(10-21)17(25-19(22)24-16)27(5)11-20(2,3)4/h7-9H,11H2,1-6H3,(H,26,28)(H3,22,23,24,25)
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0.0500 -58.2n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160159
PNG
(US9040663, 5)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C48H69Cl2N17O9/c1-25(68)61-33(10-5-19-58-47(53)54)41(71)64-35-14-15-39(69)57-18-4-9-32(40(52)70)62-46(76)38(23-27-24-60-31-8-3-2-7-28(27)31)67-42(72)34(11-6-20-59-48(55)56)63-45(75)37(22-26-12-13-29(49)30(50)21-26)66-44(74)36(16-17-51)65-43(35)73/h2-3,7-8,12-13,21,24,32-38,60H,4-6,9-11,14-20,22-23,51H2,1H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,76)(H,63,75)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.0550 -60.9n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160158
PNG
(US9040663, 4)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C48H69Cl2N17O9/c1-25(68)61-33(10-5-19-58-47(53)54)41(71)64-35-14-15-39(69)57-18-4-9-32(40(52)70)62-45(75)38(22-27-24-60-31-8-3-2-7-29(27)31)67-42(72)34(11-6-20-59-48(55)56)63-46(76)37(21-26-12-13-28(49)23-30(26)50)66-44(74)36(16-17-51)65-43(35)73/h2-3,7-8,12-13,23-24,32-38,60H,4-6,9-11,14-22,51H2,1H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,75)(H,63,76)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.0550 -60.9n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16317
PNG
(3-({5-cyano-6-[(2,2-dimethylpropyl)(methyl)amino]-...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(N(C)CC(C)(C)C)c2C#N)N2CCCN(C)CC2)c1
Show InChI InChI=1S/C26H38N8O2/c1-18-9-10-19(24(35)31-36-7)15-21(18)28-22-20(16-27)23(33(6)17-26(2,3)4)30-25(29-22)34-12-8-11-32(5)13-14-34/h9-10,15H,8,11-14,17H2,1-7H3,(H,31,35)(H,28,29,30)
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0.0570 -57.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16329
PNG
(3-({2-amino-5-cyano-6-[(1-methylethyl)amino]pyrimi...)
Show SMILES CC(C)Nc1nc(N)nc(Nc2cc(ccc2C)C(=O)Nc2ccon2)c1C#N
Show InChI InChI=1S/C19H20N8O2/c1-10(2)22-16-13(9-20)17(26-19(21)25-16)23-14-8-12(5-4-11(14)3)18(28)24-15-6-7-29-27-15/h4-8,10H,1-3H3,(H,24,27,28)(H4,21,22,23,25,26)
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0.0570 -57.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160174
PNG
(US9040663, 20)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C49H70F3N17O9/c1-26(70)63-33(10-5-21-60-47(55)56)41(73)66-35-16-17-39(71)59-20-4-9-32(40(54)72)64-46(78)38(24-28-25-62-31-8-3-2-7-30(28)31)69-42(74)34(11-6-22-61-48(57)58)65-45(77)37(68-44(76)36(18-19-53)67-43(35)75)23-27-12-14-29(15-13-27)49(50,51)52/h2-3,7-8,12-15,25,32-38,62H,4-6,9-11,16-24,53H2,1H3,(H2,54,72)(H,59,71)(H,63,70)(H,64,78)(H,65,77)(H,66,73)(H,67,75)(H,68,76)(H,69,74)(H4,55,56,60)(H4,57,58,61)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.0600 -60.7n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160157
PNG
(US9040663, 3)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C48H70ClN17O9/c1-26(67)60-33(10-5-21-57-47(52)53)41(70)63-35-16-17-39(68)56-20-4-9-32(40(51)69)61-46(75)38(24-28-25-59-31-8-3-2-7-30(28)31)66-42(71)34(11-6-22-58-48(54)55)62-45(74)37(23-27-12-14-29(49)15-13-27)65-44(73)36(18-19-50)64-43(35)72/h2-3,7-8,12-15,25,32-38,59H,4-6,9-11,16-24,50H2,1H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,75)(H,62,74)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.0800 -59.9n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160175
PNG
(US9040663, 21)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(C)cc2C)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H75N17O9/c1-27-14-15-30(28(2)23-27)24-39-48(76)63-36(13-8-22-59-50(55)56)44(72)67-40(25-31-26-60-33-10-5-4-9-32(31)33)47(75)62-34(42(52)70)11-6-20-57-41(69)17-16-37(45(73)65-38(18-19-51)46(74)66-39)64-43(71)35(61-29(3)68)12-7-21-58-49(53)54/h4-5,9-10,14-15,23,26,34-40,60H,6-8,11-13,16-22,24-25,51H2,1-3H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,75)(H,63,76)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t34-,35-,36-,37-,38-,39+,40-/s2
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0.0850 -59.8n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160169
PNG
(US9040663, 15)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(C)cc2)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C49H73N17O9/c1-27-13-15-29(16-14-27)24-38-46(74)62-35(12-7-23-58-49(54)55)43(71)66-39(25-30-26-59-32-9-4-3-8-31(30)32)47(75)61-33(41(51)69)10-5-21-56-40(68)18-17-36(44(72)64-37(19-20-50)45(73)65-38)63-42(70)34(60-28(2)67)11-6-22-57-48(52)53/h3-4,8-9,13-16,26,33-39,59H,5-7,10-12,17-25,50H2,1-2H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,75)(H,62,74)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38+,39-/s2
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0.145 -58.4n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM160170
PNG
(US9040663, 16)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CCN)NC(=O)[C@H](CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)cc1 |r|
Show InChI InChI=1/C49H73N17O10/c1-27(67)60-34(11-6-22-57-48(52)53)42(70)63-36-17-18-40(68)56-21-5-10-33(41(51)69)61-47(75)39(25-29-26-59-32-9-4-3-8-31(29)32)66-43(71)35(12-7-23-58-49(54)55)62-46(74)38(24-28-13-15-30(76-2)16-14-28)65-45(73)37(19-20-50)64-44(36)72/h3-4,8-9,13-16,26,33-39,59H,5-7,10-12,17-25,50H2,1-2H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,75)(H,62,74)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38+,39-/s2
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0.150 -58.3n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16320
PNG
(3-({5-cyano-6-[(2,2-dimethylpropyl)(methyl)amino]p...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnc(N(C)CC(C)(C)C)c2C#N)c1
Show InChI InChI=1S/C20H26N6O2/c1-13-7-8-14(19(27)25-28-6)9-16(13)24-17-15(10-21)18(23-12-22-17)26(5)11-20(2,3)4/h7-9,12H,11H2,1-6H3,(H,25,27)(H,22,23,24)
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0.150 -55.5n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16330
PNG
(3-{[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-...)
Show SMILES Cc1ccc(cc1Nc1nc(N)nc(NC2CCCC2)c1C#N)C(=O)Nc1ccon1
Show InChI InChI=1S/C21H22N8O2/c1-12-6-7-13(20(30)26-17-8-9-31-29-17)10-16(12)25-19-15(11-22)18(27-21(23)28-19)24-14-4-2-3-5-14/h6-10,14H,2-5H2,1H3,(H,26,29,30)(H4,23,24,25,27,28)
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0.160 -55.3n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50376226
PNG
(CHEMBL259922)
Show SMILES Cc1ccc(cc1Nc1ncnc2n(ncc12)-c1ccccc1)C(=O)Nc1ccon1
Show InChI InChI=1S/C22H17N7O2/c1-14-7-8-15(22(30)27-19-9-10-31-28-19)11-18(14)26-20-17-12-25-29(21(17)24-13-23-20)16-5-3-2-4-6-16/h2-13H,1H3,(H,23,24,26)(H,27,28,30)
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated myelin basic protein phosphorylation


Bioorg Med Chem Lett 18: 2652-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.019
BindingDB Entry DOI: 10.7270/Q2C53MR6
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM160159
PNG
(US9040663, 5)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C48H69Cl2N17O9/c1-25(68)61-33(10-5-19-58-47(53)54)41(71)64-35-14-15-39(69)57-18-4-9-32(40(52)70)62-46(76)38(23-27-24-60-31-8-3-2-7-28(27)31)67-42(72)34(11-6-20-59-48(55)56)63-45(75)37(22-26-12-13-29(49)30(50)21-26)66-44(74)36(16-17-51)65-43(35)73/h2-3,7-8,12-13,21,24,32-38,60H,4-6,9-11,14-20,22-23,51H2,1H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,76)(H,63,75)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.200 -57.6n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50376226
PNG
(CHEMBL259922)
Show SMILES Cc1ccc(cc1Nc1ncnc2n(ncc12)-c1ccccc1)C(=O)Nc1ccon1
Show InChI InChI=1S/C22H17N7O2/c1-14-7-8-15(22(30)27-19-9-10-31-28-19)11-18(14)26-20-17-12-25-29(21(17)24-13-23-20)16-5-3-2-4-6-16/h2-13H,1H3,(H,23,24,26)(H,27,28,30)
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MMDB

NCI pathway
Reactome pathway
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated myelin basic protein phosphorylation


Bioorg Med Chem Lett 18: 2652-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.019
BindingDB Entry DOI: 10.7270/Q2C53MR6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160170
PNG
(US9040663, 16)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CCN)NC(=O)[C@H](CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)cc1 |r|
Show InChI InChI=1/C49H73N17O10/c1-27(67)60-34(11-6-22-57-48(52)53)42(70)63-36-17-18-40(68)56-21-5-10-33(41(51)69)61-47(75)39(25-29-26-59-32-9-4-3-8-31(29)32)66-43(71)35(12-7-23-58-49(54)55)62-46(74)38(24-28-13-15-30(76-2)16-14-28)65-45(73)37(19-20-50)64-44(36)72/h3-4,8-9,13-16,26,33-39,59H,5-7,10-12,17-25,50H2,1-2H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,75)(H,62,74)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38+,39-/s2
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0.25 -57.0n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160208
PNG
(US9040663, 54)
Show SMILES CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(F)c(F)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H68F2N18O9/c1-26(71)64-35(9-5-17-60-49(54)55)43(74)66-36-10-4-16-59-41(72)15-14-34(42(53)73)65-47(78)39(21-28-23-62-33-8-3-2-7-30(28)33)69-44(75)37(11-6-18-61-50(56)57)67-46(77)38(20-27-12-13-31(51)32(52)19-27)68-48(79)40(70-45(36)76)22-29-24-58-25-63-29/h2-3,7-8,12-13,19,23-25,34-40,62H,4-6,9-11,14-18,20-22H2,1H3,(H2,53,73)(H,58,63)(H,59,72)(H,64,71)(H,65,78)(H,66,74)(H,67,77)(H,68,79)(H,69,75)(H,70,76)(H4,54,55,60)(H4,56,57,61)/t34-,35+,36-,37-,38+,39-,40-/s2
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0.25 -57.0n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160165
PNG
(US9040663, 11)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C48H70FN17O9/c1-26(67)60-33(10-5-21-57-47(52)53)41(70)63-35-16-17-39(68)56-20-4-9-32(40(51)69)61-46(75)38(24-28-25-59-31-8-3-2-7-30(28)31)66-42(71)34(11-6-22-58-48(54)55)62-45(74)37(23-27-12-14-29(49)15-13-27)65-44(73)36(18-19-50)64-43(35)72/h2-3,7-8,12-15,25,32-38,59H,4-6,9-11,16-24,50H2,1H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,75)(H,62,74)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.25 -57.0n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160180
PNG
(US9040663, 26)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(F)c(F)c2)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C48H69F2N17O9/c1-25(68)61-33(10-5-19-58-47(53)54)41(71)64-35-14-15-39(69)57-18-4-9-32(40(52)70)62-46(76)38(23-27-24-60-31-8-3-2-7-28(27)31)67-42(72)34(11-6-20-59-48(55)56)63-45(75)37(22-26-12-13-29(49)30(50)21-26)66-44(74)36(16-17-51)65-43(35)73/h2-3,7-8,12-13,21,24,32-38,60H,4-6,9-11,14-20,22-23,51H2,1H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,76)(H,63,75)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.300 -56.5n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160201
PNG
(US9040663, 47)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@H](COCc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C54H73ClN16O10/c1-31(72)65-39(19-10-24-62-53(57)58)47(75)68-41-21-22-45(73)61-23-9-18-38(46(56)74)66-50(78)43(27-34-28-64-37-17-8-6-15-35(34)37)69-48(76)40(20-11-25-63-54(59)60)67-51(79)42(26-33-14-5-7-16-36(33)55)70-52(80)44(71-49(41)77)30-81-29-32-12-3-2-4-13-32/h2-8,12-17,28,38-44,64H,9-11,18-27,29-30H2,1H3,(H2,56,74)(H,61,73)(H,65,72)(H,66,78)(H,67,79)(H,68,75)(H,69,76)(H,70,80)(H,71,77)(H4,57,58,62)(H4,59,60,63)/t38-,39-,40-,41-,42+,43-,44-/s2
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0.300 -56.5n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM160157
PNG
(US9040663, 3)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C48H70ClN17O9/c1-26(67)60-33(10-5-21-57-47(52)53)41(70)63-35-16-17-39(68)56-20-4-9-32(40(51)69)61-46(75)38(24-28-25-59-31-8-3-2-7-30(28)31)66-42(71)34(11-6-22-58-48(54)55)62-45(74)37(23-27-12-14-29(49)15-13-27)65-44(73)36(18-19-50)64-43(35)72/h2-3,7-8,12-15,25,32-38,59H,4-6,9-11,16-24,50H2,1H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,75)(H,62,74)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.300 -56.5n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348414
PNG
(CHEMBL1800984)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C20H18N2O3S/c1-20(2,18(24)22-19-21-9-10-26-19)17-13-5-3-4-6-15(13)25-16-11-12(23)7-8-14(16)17/h3-11,17,23H,1-2H3,(H,21,22,24)/t17-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from GRapha by fluorescence polarization assay


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160217
PNG
(US9040663, 63)
Show SMILES C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H](CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2Cl)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r|
Show InChI InChI=1/C55H75ClN16O10/c1-31(82-30-33-13-4-3-5-14-33)46-53(81)71-43(27-34-15-6-8-17-37(34)56)52(80)68-41(21-12-26-64-55(60)61)49(77)70-44(28-35-29-65-38-18-9-7-16-36(35)38)51(79)67-39(47(57)75)19-10-24-62-45(74)23-22-42(50(78)72-46)69-48(76)40(66-32(2)73)20-11-25-63-54(58)59/h3-9,13-18,29,31,39-44,46,65H,10-12,19-28,30H2,1-2H3,(H2,57,75)(H,62,74)(H,66,73)(H,67,79)(H,68,80)(H,69,76)(H,70,77)(H,71,81)(H,72,78)(H4,58,59,63)(H4,60,61,64)/t31-,39+,40+,41+,42+,43-,44+,46+/s2
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0.350 -56.1n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160173
PNG
(US9040663, 19)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cccc(C)c2)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C49H73N17O9/c1-27-9-5-10-29(23-27)24-38-46(74)62-35(15-8-22-58-49(54)55)43(71)66-39(25-30-26-59-32-12-4-3-11-31(30)32)47(75)61-33(41(51)69)13-6-20-56-40(68)17-16-36(44(72)64-37(18-19-50)45(73)65-38)63-42(70)34(60-28(2)67)14-7-21-57-48(52)53/h3-5,9-12,23,26,33-39,59H,6-8,13-22,24-25,50H2,1-2H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,75)(H,62,74)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38+,39-/s2
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0.400 -55.8n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135736
PNG
(US10179804, Example 121 | US8846601, 121 | US94582...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C48H71N17O9/c1-27(66)59-32(16-9-21-56-47(51)52)41(69)60-33-15-7-8-20-55-39(67)25-36(40(50)68)63-46(74)38(24-29-26-58-31-14-6-5-13-30(29)31)65-43(71)34(17-10-22-57-48(53)54)61-45(73)37(23-28-11-3-2-4-12-28)64-44(72)35(18-19-49)62-42(33)70/h2-6,11-14,26,32-38,58H,7-10,15-25,49H2,1H3,(H2,50,68)(H,55,67)(H,59,66)(H,60,69)(H,61,73)(H,62,70)(H,63,74)(H,64,72)(H,65,71)(H4,51,52,56)(H4,53,54,57)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.400n/an/an/an/an/an/a7.5n/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay is performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, o...


US Patent US8846601 (2014)


BindingDB Entry DOI: 10.7270/Q2SF2TWK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135752
PNG
(US10179804, Example 137 | US8846601, 137 | US94582...)
Show SMILES NCC[C@@H]1NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCCCC1 |r|
Show InChI InChI=1/C53H79N17O9/c54-23-22-39-48(76)68-40(27-31-13-3-1-4-14-31)49(77)66-38(21-12-26-62-53(58)59)47(75)69-41(28-33-30-63-35-18-8-7-17-34(33)35)50(78)64-36(44(55)72)19-9-10-24-60-43(71)29-42(51(79)67-39)70-46(74)37(20-11-25-61-52(56)57)65-45(73)32-15-5-2-6-16-32/h1,3-4,7-8,13-14,17-18,30,32,36-42,63H,2,5-6,9-12,15-16,19-29,54H2,(H2,55,72)(H,60,71)(H,64,78)(H,65,73)(H,66,77)(H,67,79)(H,68,76)(H,69,75)(H,70,74)(H4,56,57,61)(H4,58,59,62)/t36-,37-,38-,39-,40+,41-,42-/s2
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0.400n/an/an/an/an/an/a7.5n/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay is performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, o...


US Patent US8846601 (2014)


BindingDB Entry DOI: 10.7270/Q2SF2TWK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135752
PNG
(US10179804, Example 137 | US8846601, 137 | US94582...)
Show SMILES NCC[C@@H]1NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCCCC1 |r|
Show InChI InChI=1/C53H79N17O9/c54-23-22-39-48(76)68-40(27-31-13-3-1-4-14-31)49(77)66-38(21-12-26-62-53(58)59)47(75)69-41(28-33-30-63-35-18-8-7-17-34(33)35)50(78)64-36(44(55)72)19-9-10-24-60-43(71)29-42(51(79)67-39)70-46(74)37(20-11-25-61-52(56)57)65-45(73)32-15-5-2-6-16-32/h1,3-4,7-8,13-14,17-18,30,32,36-42,63H,2,5-6,9-12,15-16,19-29,54H2,(H2,55,72)(H,60,71)(H,64,78)(H,65,73)(H,66,77)(H,67,79)(H,68,76)(H,69,75)(H,70,74)(H4,56,57,61)(H4,58,59,62)/t36-,37-,38-,39-,40+,41-,42-/s2
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0.400n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent




US Patent US10179804 (2019)


BindingDB Entry DOI: 10.7270/Q24T6MFP
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135752
PNG
(US10179804, Example 137 | US8846601, 137 | US94582...)
Show SMILES NCC[C@@H]1NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCCCC1 |r|
Show InChI InChI=1/C53H79N17O9/c54-23-22-39-48(76)68-40(27-31-13-3-1-4-14-31)49(77)66-38(21-12-26-62-53(58)59)47(75)69-41(28-33-30-63-35-18-8-7-17-34(33)35)50(78)64-36(44(55)72)19-9-10-24-60-43(71)29-42(51(79)67-39)70-46(74)37(20-11-25-61-52(56)57)65-45(73)32-15-5-2-6-16-32/h1,3-4,7-8,13-14,17-18,30,32,36-42,63H,2,5-6,9-12,15-16,19-29,54H2,(H2,55,72)(H,60,71)(H,64,78)(H,65,73)(H,66,77)(H,67,79)(H,68,76)(H,69,75)(H,70,74)(H4,56,57,61)(H4,58,59,62)/t36-,37-,38-,39-,40+,41-,42-/s2
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0.400 -55.8n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay is performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, o...


US Patent US9458201 (2016)


BindingDB Entry DOI: 10.7270/Q2HT2N79
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348407
PNG
(CHEMBL1801006)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)c(Br)c1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C20H19BrN2O2S/c1-20(2,18(25)23-19-22-10-11-26-19)17(13-6-4-3-5-7-13)14-8-9-16(24)15(21)12-14/h3-12,17,24H,1-2H3,(H,22,23,25)/t17-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from GRapha by fluorescence polarization assay


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348412
PNG
(CHEMBL1800982)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)c(Br)c1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C19H18BrN3O2S/c1-19(2,17(25)22-18-23-21-11-26-18)16(12-6-4-3-5-7-12)13-8-9-15(24)14(20)10-13/h3-11,16,24H,1-2H3,(H,22,23,25)/t16-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from GRapha by fluorescence polarization assay


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135736
PNG
(US10179804, Example 121 | US8846601, 121 | US94582...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C48H71N17O9/c1-27(66)59-32(16-9-21-56-47(51)52)41(69)60-33-15-7-8-20-55-39(67)25-36(40(50)68)63-46(74)38(24-29-26-58-31-14-6-5-13-30(29)31)65-43(71)34(17-10-22-57-48(53)54)61-45(73)37(23-28-11-3-2-4-12-28)64-44(72)35(18-19-49)62-42(33)70/h2-6,11-14,26,32-38,58H,7-10,15-25,49H2,1H3,(H2,50,68)(H,55,67)(H,59,66)(H,60,69)(H,61,73)(H,62,70)(H,63,74)(H,64,72)(H,65,71)(H4,51,52,56)(H4,53,54,57)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.400 -55.8n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay is performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, o...


US Patent US9458201 (2016)


BindingDB Entry DOI: 10.7270/Q2HT2N79
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135736
PNG
(US10179804, Example 121 | US8846601, 121 | US94582...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C48H71N17O9/c1-27(66)59-32(16-9-21-56-47(51)52)41(69)60-33-15-7-8-20-55-39(67)25-36(40(50)68)63-46(74)38(24-29-26-58-31-14-6-5-13-30(29)31)65-43(71)34(17-10-22-57-48(53)54)61-45(73)37(23-28-11-3-2-4-12-28)64-44(72)35(18-19-49)62-42(33)70/h2-6,11-14,26,32-38,58H,7-10,15-25,49H2,1H3,(H2,50,68)(H,55,67)(H,59,66)(H,60,69)(H,61,73)(H,62,70)(H,63,74)(H,64,72)(H,65,71)(H4,51,52,56)(H4,53,54,57)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.400n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent




US Patent US10179804 (2019)


BindingDB Entry DOI: 10.7270/Q24T6MFP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16325
PNG
(3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl...)
Show SMILES CC(C)Nc1ncnc(Nc2cc(ccc2C)C(=O)Nc2ccon2)c1C#N
Show InChI InChI=1S/C19H19N7O2/c1-11(2)23-17-14(9-20)18(22-10-21-17)24-15-8-13(5-4-12(15)3)19(27)25-16-6-7-28-26-16/h4-8,10-11H,1-3H3,(H,25,26,27)(H2,21,22,23,24)
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0.410 -53.0n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16324
PNG
(3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]ami...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnc(NC3CCCC3)c2C#N)c1
Show InChI InChI=1S/C19H22N6O2/c1-12-7-8-13(19(26)25-27-2)9-16(12)24-18-15(10-20)17(21-11-22-18)23-14-5-3-4-6-14/h7-9,11,14H,3-6H2,1-2H3,(H,25,26)(H2,21,22,23,24)
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0.420 -53.0n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160178
PNG
(US9040663, 24)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C48H70N18O11/c1-26(67)59-33(10-5-21-56-47(51)52)41(70)62-35-16-17-39(68)55-20-4-9-32(40(50)69)60-46(75)38(24-28-25-58-31-8-3-2-7-30(28)31)65-42(71)34(11-6-22-57-48(53)54)61-45(74)37(23-27-12-14-29(15-13-27)66(76)77)64-44(73)36(18-19-49)63-43(35)72/h2-3,7-8,12-15,25,32-38,58H,4-6,9-11,16-24,49H2,1H3,(H2,50,69)(H,55,68)(H,59,67)(H,60,75)(H,61,74)(H,62,70)(H,63,72)(H,64,73)(H,65,71)(H4,51,52,56)(H4,53,54,57)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.450 -55.5n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440220
PNG
(CHEMBL2426624)
Show SMILES CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C25H20FN5OS/c1-16(24(32)29-25-30-27-15-33-25)23(17-5-3-2-4-6-17)18-7-12-22-19(13-18)14-28-31(22)21-10-8-20(26)9-11-21/h2-16,23H,1H3,(H,29,30,32)/t16?,23-/m0/s1
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0.480n/an/an/an/an/an/an/an/a



Ironwood Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5442-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160172
PNG
(US9040663, 18)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2C)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C49H73N17O9/c1-27-10-3-4-11-29(27)24-38-47(75)62-35(16-9-23-58-49(54)55)43(71)66-39(25-30-26-59-32-13-6-5-12-31(30)32)46(74)61-33(41(51)69)14-7-21-56-40(68)18-17-36(44(72)64-37(19-20-50)45(73)65-38)63-42(70)34(60-28(2)67)15-8-22-57-48(52)53/h3-6,10-13,26,33-39,59H,7-9,14-25,50H2,1-2H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,74)(H,62,75)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38+,39-/s2
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0.5 -55.2n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160183
PNG
(US9040663, 29)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C54H75N17O9/c1-31(72)65-39(15-8-26-62-53(57)58)47(75)68-41-21-22-45(73)61-25-7-14-38(46(56)74)66-52(80)44(29-35-30-64-37-13-6-5-12-36(35)37)71-48(76)40(16-9-27-63-54(59)60)67-51(79)43(70-50(78)42(23-24-55)69-49(41)77)28-32-17-19-34(20-18-32)33-10-3-2-4-11-33/h2-6,10-13,17-20,30,38-44,64H,7-9,14-16,21-29,55H2,1H3,(H2,56,74)(H,61,73)(H,65,72)(H,66,80)(H,67,79)(H,68,75)(H,69,77)(H,70,78)(H,71,76)(H4,57,58,62)(H4,59,60,63)/t38-,39-,40-,41-,42-,43+,44-/s2
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0.5 -55.2n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM160165
PNG
(US9040663, 11)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C48H70FN17O9/c1-26(67)60-33(10-5-21-57-47(52)53)41(70)63-35-16-17-39(68)56-20-4-9-32(40(51)69)61-46(75)38(24-28-25-59-31-8-3-2-7-30(28)31)66-42(71)34(11-6-22-58-48(54)55)62-45(74)37(23-27-12-14-29(49)15-13-27)65-44(73)36(18-19-50)64-43(35)72/h2-3,7-8,12-15,25,32-38,59H,4-6,9-11,16-24,50H2,1H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,75)(H,62,74)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.5 -55.2n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM160158
PNG
(US9040663, 4)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C48H69Cl2N17O9/c1-25(68)61-33(10-5-19-58-47(53)54)41(71)64-35-14-15-39(69)57-18-4-9-32(40(52)70)62-45(75)38(22-27-24-60-31-8-3-2-7-29(27)31)67-42(72)34(11-6-20-59-48(55)56)63-46(76)37(21-26-12-13-28(49)23-30(26)50)66-44(74)36(16-17-51)65-43(35)73/h2-3,7-8,12-13,23-24,32-38,60H,4-6,9-11,14-22,51H2,1H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,75)(H,63,76)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.5 -55.2n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160253
PNG
(US9040663, 99)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)[C@H](CCCNC(N)=O)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H73ClN18O10/c1-27(70)63-34(14-6-20-59-48(53)54)42(73)67-37-17-18-40(71)58-19-5-13-33(41(52)72)64-47(78)39(25-29-26-62-32-12-3-2-11-31(29)32)69-44(75)36(15-7-21-60-49(55)56)66-46(77)38(24-28-9-4-10-30(51)23-28)68-43(74)35(65-45(37)76)16-8-22-61-50(57)79/h2-4,9-12,23,26,33-39,62H,5-8,13-22,24-25H2,1H3,(H2,52,72)(H,58,71)(H,63,70)(H,64,78)(H,65,76)(H,66,77)(H,67,73)(H,68,74)(H,69,75)(H4,53,54,59)(H4,55,56,60)(H3,57,61,79)/t33-,34-,35-,36-,37-,38+,39-/s2
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0.5 -55.2n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440105
PNG
(CHEMBL2426114)
Show SMILES CC(C)(CNS(C)(=O)=O)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H26FN3O2S/c1-25(2,17-28-32(3,30)31)24(18-7-5-4-6-8-18)19-9-14-23-20(15-19)16-27-29(23)22-12-10-21(26)11-13-22/h4-16,24,28H,17H2,1-3H3/t24-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay


Bioorg Med Chem Lett 23: 5448-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440220
PNG
(CHEMBL2426624)
Show SMILES CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C25H20FN5OS/c1-16(24(32)29-25-30-27-15-33-25)23(17-5-3-2-4-6-17)18-7-12-22-19(13-18)14-28-31(22)21-10-8-20(26)9-11-21/h2-16,23H,1H3,(H,29,30,32)/t16?,23-/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Ironwood Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5442-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135690
PNG
(US10179804, Example 75 | US8846601, 75 | US9458201...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H70N18O9/c1-28(69)62-35(14-8-20-58-49(52)53)43(72)64-36-15-7-19-57-41(70)18-17-34(42(51)71)63-47(76)39(23-30-25-60-33-13-6-5-12-32(30)33)67-44(73)37(16-9-21-59-50(54)55)65-46(75)38(22-29-10-3-2-4-11-29)66-48(77)40(68-45(36)74)24-31-26-56-27-61-31/h2-6,10-13,25-27,34-40,60H,7-9,14-24H2,1H3,(H2,51,71)(H,56,61)(H,57,70)(H,62,69)(H,63,76)(H,64,72)(H,65,75)(H,66,77)(H,67,73)(H,68,74)(H4,52,53,58)(H4,54,55,59)/t34-,35-,36-,37-,38+,39-,40-/s2
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0.600n/an/an/an/an/an/a7.5n/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay is performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, o...


US Patent US8846601 (2014)


BindingDB Entry DOI: 10.7270/Q2SF2TWK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135690
PNG
(US10179804, Example 75 | US8846601, 75 | US9458201...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H70N18O9/c1-28(69)62-35(14-8-20-58-49(52)53)43(72)64-36-15-7-19-57-41(70)18-17-34(42(51)71)63-47(76)39(23-30-25-60-33-13-6-5-12-32(30)33)67-44(73)37(16-9-21-59-50(54)55)65-46(75)38(22-29-10-3-2-4-11-29)66-48(77)40(68-45(36)74)24-31-26-56-27-61-31/h2-6,10-13,25-27,34-40,60H,7-9,14-24H2,1H3,(H2,51,71)(H,56,61)(H,57,70)(H,62,69)(H,63,76)(H,64,72)(H,65,75)(H,66,77)(H,67,73)(H,68,74)(H4,52,53,58)(H4,54,55,59)/t34-,35-,36-,37-,38+,39-,40-/s2
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0.600n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent




US Patent US10179804 (2019)


BindingDB Entry DOI: 10.7270/Q24T6MFP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348404
PNG
(CHEMBL1801009)
Show SMILES CC(C)(C(c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H19FN2O2S/c1-20(2,18(25)23-19-22-10-11-26-19)17(13-6-4-3-5-7-13)14-8-9-16(24)15(21)12-14/h3-12,17,24H,1-2H3,(H,22,23,25)
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0.600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from GRapha by fluorescence polarization assay


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160167
PNG
(US9040663, 13)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2C(F)(F)F)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C49H70F3N17O9/c1-26(70)63-33(14-7-21-60-47(55)56)41(73)66-35-16-17-39(71)59-20-6-13-32(40(54)72)64-45(77)38(24-28-25-62-31-12-5-3-10-29(28)31)69-42(74)34(15-8-22-61-48(57)58)65-46(78)37(68-44(76)36(18-19-53)67-43(35)75)23-27-9-2-4-11-30(27)49(50,51)52/h2-5,9-12,25,32-38,62H,6-8,13-24,53H2,1H3,(H2,54,72)(H,59,71)(H,63,70)(H,64,77)(H,65,78)(H,66,73)(H,67,75)(H,68,76)(H,69,74)(H4,55,56,60)(H4,57,58,61)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.600 -54.8n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160205
PNG
(US9040663, 51)
Show SMILES CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H69ClN18O9/c1-27(70)63-35(12-6-18-59-49(53)54)43(73)65-36-13-5-17-58-41(71)16-15-34(42(52)72)64-47(77)39(22-29-24-61-33-11-3-2-10-32(29)33)68-44(74)37(14-7-19-60-50(55)56)66-46(76)38(21-28-8-4-9-30(51)20-28)67-48(78)40(69-45(36)75)23-31-25-57-26-62-31/h2-4,8-11,20,24-26,34-40,61H,5-7,12-19,21-23H2,1H3,(H2,52,72)(H,57,62)(H,58,71)(H,63,70)(H,64,77)(H,65,73)(H,66,76)(H,67,78)(H,68,74)(H,69,75)(H4,53,54,59)(H4,55,56,60)/t34-,35+,36-,37-,38+,39-,40-/s2
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0.600 -54.8n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160206
PNG
(US9040663, 52)
Show SMILES CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(cc2)C#N)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C51H69N19O9/c1-28(71)64-36(9-5-19-60-50(54)55)44(74)66-37-10-4-18-59-42(72)17-16-35(43(53)73)65-48(78)40(22-31-25-62-34-8-3-2-7-33(31)34)69-45(75)38(11-6-20-61-51(56)57)67-47(77)39(21-29-12-14-30(24-52)15-13-29)68-49(79)41(70-46(37)76)23-32-26-58-27-63-32/h2-3,7-8,12-15,25-27,35-41,62H,4-6,9-11,16-23H2,1H3,(H2,53,73)(H,58,63)(H,59,72)(H,64,71)(H,65,78)(H,66,74)(H,67,77)(H,68,79)(H,69,75)(H,70,76)(H4,54,55,60)(H4,56,57,61)/t35-,36+,37-,38-,39+,40-,41-/s2
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0.600 -54.8n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
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