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Compile Data Set for Download or QSAR

Found 2857 hits with Last Name = 'sharma' and Initial = 's'   
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
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
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0.00190n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum ENR in presence of EGCG by dilution assay


J Med Chem 50: 765-75 (2007)


Article DOI: 10.1021/jm061154d
BindingDB Entry DOI: 10.7270/Q2QJ7J4Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
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0.0521n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum ENR in presence of ECG by dilution assay


J Med Chem 50: 765-75 (2007)


Article DOI: 10.1021/jm061154d
BindingDB Entry DOI: 10.7270/Q2QJ7J4Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
CHEMBL4080228
PNG
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<0.100n/an/an/an/an/an/an/an/a



WuXi AppTec

Curated by ChEMBL




J Med Chem 61: 650-665 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01375
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
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0.109n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum ENR in presence of EGC by dilution assay


J Med Chem 50: 765-75 (2007)


Article DOI: 10.1021/jm061154d
BindingDB Entry DOI: 10.7270/Q2QJ7J4Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
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0.281n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum ENR in presence of quercetin by dilution assay


J Med Chem 50: 765-75 (2007)


Article DOI: 10.1021/jm061154d
BindingDB Entry DOI: 10.7270/Q2QJ7J4Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50413787
PNG
(CHEMBL449380)
Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NC)nc(Cl)nc12
Show InChI InChI=1S/C12H15ClN6O4/c1-14-8-4-9(18-12(13)17-8)19(3-16-4)11-6(21)5(20)7(23-11)10(22)15-2/h3,5-7,11,20-21H,1-2H3,(H,15,22)(H,14,17,18)
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0.282n/an/an/an/an/an/an/an/a



Sobhasaria Engineering College

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells


Eur J Med Chem 44: 1377-82 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50413787
PNG
(CHEMBL449380)
Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NC)nc(Cl)nc12
Show InChI InChI=1S/C12H15ClN6O4/c1-14-8-4-9(18-12(13)17-8)19(3-16-4)11-6(21)5(20)7(23-11)10(22)15-2/h3,5-7,11,20-21H,1-2H3,(H,15,22)(H,14,17,18)
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0.282n/an/an/an/an/an/an/an/a



Sobhasaria Engineering College

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells


Eur J Med Chem 44: 1377-82 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Sobhasaria Engineering College

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells


Eur J Med Chem 44: 1377-82 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Sobhasaria Engineering College

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells


Eur J Med Chem 44: 1377-82 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50413786
PNG
(CHEMBL483954)
Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(Cl)nc12
Show InChI InChI=1S/C11H13ClN6O4/c1-14-9(21)6-4(19)5(20)10(22-6)18-2-15-3-7(13)16-11(12)17-8(3)18/h2,4-6,10,19-20H,1H3,(H,14,21)(H2,13,16,17)
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0.398n/an/an/an/an/an/an/an/a



Sobhasaria Engineering College

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells


Eur J Med Chem 44: 1377-82 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50413786
PNG
(CHEMBL483954)
Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(Cl)nc12
Show InChI InChI=1S/C11H13ClN6O4/c1-14-9(21)6-4(19)5(20)10(22-6)18-2-15-3-7(13)16-11(12)17-8(3)18/h2,4-6,10,19-20H,1H3,(H,14,21)(H2,13,16,17)
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0.398n/an/an/an/an/an/an/an/a



Sobhasaria Engineering College

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells


Eur J Med Chem 44: 1377-82 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03
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
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/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)


Article DOI: 10.1074/jbc.M702316200
BindingDB Entry DOI: 10.7270/Q24T6MFP
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)


Article DOI: 10.1074/jbc.M702316200
BindingDB Entry DOI: 10.7270/Q24T6MFP
More data for this
Ligand-Target Pair
Aurora kinase A-interacting protein


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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0.600n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
BindingDB Entry DOI: 10.7270/Q24X58QS
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)


Article DOI: 10.1074/jbc.M702316200
BindingDB Entry DOI: 10.7270/Q24T6MFP
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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0.600 -54.8n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50401298
PNG
(CHEMBL2204542)
Show SMILES CC(C)Oc1nc(nc2CCN(Cc12)C(=O)Nc1cnccc1C)-c1ccc(Cl)nc1
Show InChI InChI=1S/C22H23ClN6O2/c1-13(2)31-21-16-12-29(22(30)27-18-11-24-8-6-14(18)3)9-7-17(16)26-20(28-21)15-4-5-19(23)25-10-15/h4-6,8,10-11,13H,7,9,12H2,1-3H3,(H,27,30)
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 22: 5903-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.072
BindingDB Entry DOI: 10.7270/Q23J3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50413798
PNG
(CHEMBL488149)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CC3)nc(Cl)nc12
Show InChI InChI=1S/C15H19ClN6O4/c1-2-17-13(25)10-8(23)9(24)14(26-10)22-5-18-7-11(19-6-3-4-6)20-15(16)21-12(7)22/h5-6,8-10,14,23-24H,2-4H2,1H3,(H,17,25)(H,19,20,21)
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0.676n/an/an/an/an/an/an/an/a



Sobhasaria Engineering College

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells


Eur J Med Chem 44: 1377-82 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50413798
PNG
(CHEMBL488149)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CC3)nc(Cl)nc12
Show InChI InChI=1S/C15H19ClN6O4/c1-2-17-13(25)10-8(23)9(24)14(26-10)22-5-18-7-11(19-6-3-4-6)20-15(16)21-12(7)22/h5-6,8-10,14,23-24H,2-4H2,1H3,(H,17,25)(H,19,20,21)
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0.676n/an/an/an/an/an/an/an/a



Sobhasaria Engineering College

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells


Eur J Med Chem 44: 1377-82 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135630
PNG
(US10179804, Example 15 | US8846601, 15 | US9458201...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC(=O)NCCCC[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]2C[C@H](CN2C1=O)OCc1ccccc1)C(N)=O |r|
Show InChI InChI=1/C56H76N16O10/c1-33(73)66-41(21-12-24-63-55(58)59)49(76)71-45-29-47(74)62-23-11-10-20-40(48(57)75)67-52(79)44(27-36-30-65-39-19-9-8-18-38(36)39)69-50(77)42(22-13-25-64-56(60)61)68-51(78)43(26-34-14-4-2-5-15-34)70-53(80)46-28-37(31-72(46)54(45)81)82-32-35-16-6-3-7-17-35/h2-9,14-19,30,37,40-46,65H,10-13,20-29,31-32H2,1H3,(H2,57,75)(H,62,74)(H,66,73)(H,67,79)(H,68,78)(H,69,77)(H,70,80)(H,71,76)(H4,58,59,63)(H4,60,61,64)/t37-,40+,41+,42+,43-,44+,45+,46+/s2
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0.700 -54.4n/an/an/an/an/an/a37



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed employing Eu-NDP-α-MSH (PerkinElmer Life Sciences catalog No. AD0225) with determination b...


US Patent US9458201 (2016)


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


(Homo sapiens (Human))
BDBM135630
PNG
(US10179804, Example 15 | US8846601, 15 | US9458201...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC(=O)NCCCC[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]2C[C@H](CN2C1=O)OCc1ccccc1)C(N)=O |r|
Show InChI InChI=1/C56H76N16O10/c1-33(73)66-41(21-12-24-63-55(58)59)49(76)71-45-29-47(74)62-23-11-10-20-40(48(57)75)67-52(79)44(27-36-30-65-39-19-9-8-18-38(36)39)69-50(77)42(22-13-25-64-56(60)61)68-51(78)43(26-34-14-4-2-5-15-34)70-53(80)46-28-37(31-72(46)54(45)81)82-32-35-16-6-3-7-17-35/h2-9,14-19,30,37,40-46,65H,10-13,20-29,31-32H2,1H3,(H2,57,75)(H,62,74)(H,66,73)(H,67,79)(H,68,78)(H,69,77)(H,70,80)(H,71,76)(H4,58,59,63)(H4,60,61,64)/t37-,40+,41+,42+,43-,44+,45+,46+/s2
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0.700n/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))
BDBM135717
PNG
(US10179804, Example 102 | US8846601, 102 | US94582...)
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](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H75N19O9/c1-28(70)63-34(16-8-22-59-48(52)53)42(73)67-37-19-20-40(71)58-21-7-15-33(41(51)72)64-47(78)39(26-30-27-62-32-14-6-5-13-31(30)32)69-44(75)36(18-10-24-61-50(56)57)66-46(77)38(25-29-11-3-2-4-12-29)68-43(74)35(65-45(37)76)17-9-23-60-49(54)55/h2-6,11-14,27,33-39,62H,7-10,15-26H2,1H3,(H2,51,72)(H,58,71)(H,63,70)(H,64,78)(H,65,76)(H,66,77)(H,67,73)(H,68,74)(H,69,75)(H4,52,53,59)(H4,54,55,60)(H4,56,57,61)/t33-,34-,35-,36-,37-,38+,39-/s2
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0.700n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent




US Patent US10179804 (2019)


Article DOI: 10.1074/jbc.M702316200
BindingDB Entry DOI: 10.7270/Q24T6MFP
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135717
PNG
(US10179804, Example 102 | US8846601, 102 | US94582...)
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](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H75N19O9/c1-28(70)63-34(16-8-22-59-48(52)53)42(73)67-37-19-20-40(71)58-21-7-15-33(41(51)72)64-47(78)39(26-30-27-62-32-14-6-5-13-31(30)32)69-44(75)36(18-10-24-61-50(56)57)66-46(77)38(25-29-11-3-2-4-12-29)68-43(74)35(65-45(37)76)17-9-23-60-49(54)55/h2-6,11-14,27,33-39,62H,7-10,15-26H2,1H3,(H2,51,72)(H,58,71)(H,63,70)(H,64,78)(H,65,76)(H,66,77)(H,67,73)(H,68,74)(H,69,75)(H4,52,53,59)(H4,54,55,60)(H4,56,57,61)/t33-,34-,35-,36-,37-,38+,39-/s2
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0.700n/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))
BDBM135630
PNG
(US10179804, Example 15 | US8846601, 15 | US9458201...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC(=O)NCCCC[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]2C[C@H](CN2C1=O)OCc1ccccc1)C(N)=O |r|
Show InChI InChI=1/C56H76N16O10/c1-33(73)66-41(21-12-24-63-55(58)59)49(76)71-45-29-47(74)62-23-11-10-20-40(48(57)75)67-52(79)44(27-36-30-65-39-19-9-8-18-38(36)39)69-50(77)42(22-13-25-64-56(60)61)68-51(78)43(26-34-14-4-2-5-15-34)70-53(80)46-28-37(31-72(46)54(45)81)82-32-35-16-6-3-7-17-35/h2-9,14-19,30,37,40-46,65H,10-13,20-29,31-32H2,1H3,(H2,57,75)(H,62,74)(H,66,73)(H,67,79)(H,68,78)(H,69,77)(H,70,80)(H,71,76)(H4,58,59,63)(H4,60,61,64)/t37-,40+,41+,42+,43-,44+,45+,46+/s2
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0.700n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent




US Patent US10179804 (2019)


Article DOI: 10.1074/jbc.M702316200
BindingDB Entry DOI: 10.7270/Q24T6MFP
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135717
PNG
(US10179804, Example 102 | US8846601, 102 | US94582...)
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](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H75N19O9/c1-28(70)63-34(16-8-22-59-48(52)53)42(73)67-37-19-20-40(71)58-21-7-15-33(41(51)72)64-47(78)39(26-30-27-62-32-14-6-5-13-31(30)32)69-44(75)36(18-10-24-61-50(56)57)66-46(77)38(25-29-11-3-2-4-12-29)68-43(74)35(65-45(37)76)17-9-23-60-49(54)55/h2-6,11-14,27,33-39,62H,7-10,15-26H2,1H3,(H2,51,72)(H,58,71)(H,63,70)(H,64,78)(H,65,76)(H,66,77)(H,67,73)(H,68,74)(H,69,75)(H4,52,53,59)(H4,54,55,60)(H4,56,57,61)/t33-,34-,35-,36-,37-,38+,39-/s2
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0.700 -54.4n/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
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
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0.798n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum ENR in presence of butein by dilution assay


J Med Chem 50: 765-75 (2007)


Article DOI: 10.1021/jm061154d
BindingDB Entry DOI: 10.7270/Q2QJ7J4Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135753
PNG
(US10179804, Example 138 | US8846601, 138 | 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)CC1CCCC1 |r|
Show InChI InChI=1/C53H79N17O9/c54-22-21-39-48(76)68-40(26-31-12-2-1-3-13-31)49(77)66-38(20-11-25-62-53(58)59)47(75)69-41(28-33-30-63-35-17-7-6-16-34(33)35)50(78)65-36(45(55)73)18-8-9-23-60-43(71)29-42(51(79)67-39)70-46(74)37(19-10-24-61-52(56)57)64-44(72)27-32-14-4-5-15-32/h1-3,6-7,12-13,16-17,30,32,36-42,63H,4-5,8-11,14-15,18-29,54H2,(H2,55,73)(H,60,71)(H,64,72)(H,65,78)(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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0.800n/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))
BDBM135753
PNG
(US10179804, Example 138 | US8846601, 138 | 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)CC1CCCC1 |r|
Show InChI InChI=1/C53H79N17O9/c54-22-21-39-48(76)68-40(26-31-12-2-1-3-13-31)49(77)66-38(20-11-25-62-53(58)59)47(75)69-41(28-33-30-63-35-17-7-6-16-34(33)35)50(78)65-36(45(55)73)18-8-9-23-60-43(71)29-42(51(79)67-39)70-46(74)37(19-10-24-61-52(56)57)64-44(72)27-32-14-4-5-15-32/h1-3,6-7,12-13,16-17,30,32,36-42,63H,4-5,8-11,14-15,18-29,54H2,(H2,55,73)(H,60,71)(H,64,72)(H,65,78)(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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0.800n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent




US Patent US10179804 (2019)


Article DOI: 10.1074/jbc.M702316200
BindingDB Entry DOI: 10.7270/Q24T6MFP
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135753
PNG
(US10179804, Example 138 | US8846601, 138 | 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)CC1CCCC1 |r|
Show InChI InChI=1/C53H79N17O9/c54-22-21-39-48(76)68-40(26-31-12-2-1-3-13-31)49(77)66-38(20-11-25-62-53(58)59)47(75)69-41(28-33-30-63-35-17-7-6-16-34(33)35)50(78)65-36(45(55)73)18-8-9-23-60-43(71)29-42(51(79)67-39)70-46(74)37(19-10-24-61-52(56)57)64-44(72)27-32-14-4-5-15-32/h1-3,6-7,12-13,16-17,30,32,36-42,63H,4-5,8-11,14-15,18-29,54H2,(H2,55,73)(H,60,71)(H,64,72)(H,65,78)(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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0.800 -54.0n/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
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50413804
PNG
(CHEMBL486171)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H20ClIN6O4/c1-2-22-17(30)14-12(28)13(29)18(31-14)27-8-24-11-15(25-19(20)26-16(11)27)23-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,2,7H2,1H3,(H,22,30)(H,23,25,26)
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0.891n/an/an/an/an/an/an/an/a



Sobhasaria Engineering College

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells


Eur J Med Chem 44: 1377-82 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50413804
PNG
(CHEMBL486171)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H20ClIN6O4/c1-2-22-17(30)14-12(28)13(29)18(31-14)27-8-24-11-15(25-19(20)26-16(11)27)23-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,2,7H2,1H3,(H,22,30)(H,23,25,26)
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0.891n/an/an/an/an/an/an/an/a



Sobhasaria Engineering College

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells


Eur J Med Chem 44: 1377-82 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
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1n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum ENR in presence of EGCG


J Med Chem 50: 765-75 (2007)


Article DOI: 10.1021/jm061154d
BindingDB Entry DOI: 10.7270/Q2QJ7J4Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135754
PNG
(US10179804, Example 139 | US8846601, 139 | 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)CC1CCCCC1 |r|
Show InChI InChI=1/C54H81N17O9/c55-23-22-40-49(77)69-41(27-32-13-3-1-4-14-32)50(78)67-39(21-12-26-63-54(59)60)48(76)70-42(29-34-31-64-36-18-8-7-17-35(34)36)51(79)66-37(46(56)74)19-9-10-24-61-44(72)30-43(52(80)68-40)71-47(75)38(20-11-25-62-53(57)58)65-45(73)28-33-15-5-2-6-16-33/h1,3-4,7-8,13-14,17-18,31,33,37-43,64H,2,5-6,9-12,15-16,19-30,55H2,(H2,56,74)(H,61,72)(H,65,73)(H,66,79)(H,67,78)(H,68,80)(H,69,77)(H,70,76)(H,71,75)(H4,57,58,62)(H4,59,60,63)/t37-,38-,39-,40-,41+,42-,43-/s2
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1 -53.4n/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))
BDBM321416
PNG
(Ac-Arg-cyclo(Lys-His- D-Phe-Arg-Trp-Asp)- NH2 | US...)
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](Cc2c[nH]cn2)NC1=O)C(O)=O |r|
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1n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent




US Patent US10179804 (2019)


Article DOI: 10.1074/jbc.M702316200
BindingDB Entry DOI: 10.7270/Q24T6MFP
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135754
PNG
(US10179804, Example 139 | US8846601, 139 | 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)CC1CCCCC1 |r|
Show InChI InChI=1/C54H81N17O9/c55-23-22-40-49(77)69-41(27-32-13-3-1-4-14-32)50(78)67-39(21-12-26-63-54(59)60)48(76)70-42(29-34-31-64-36-18-8-7-17-35(34)36)51(79)66-37(46(56)74)19-9-10-24-61-44(72)30-43(52(80)68-40)71-47(75)38(20-11-25-62-53(57)58)65-45(73)28-33-15-5-2-6-16-33/h1,3-4,7-8,13-14,17-18,31,33,37-43,64H,2,5-6,9-12,15-16,19-30,55H2,(H2,56,74)(H,61,72)(H,65,73)(H,66,79)(H,67,78)(H,68,80)(H,69,77)(H,70,76)(H,71,75)(H4,57,58,62)(H4,59,60,63)/t37-,38-,39-,40-,41+,42-,43-/s2
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1n/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))
BDBM135679
PNG
(US10179804, Example 64 | US8846601, 64 | US9458201...)
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](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H70N18O9/c1-28(69)62-35(15-8-20-58-49(52)53)43(72)65-37-17-18-41(70)57-19-7-14-34(42(51)71)63-47(76)39(23-30-25-60-33-13-6-5-12-32(30)33)67-44(73)36(16-9-21-59-50(54)55)64-46(75)38(22-29-10-3-2-4-11-29)66-48(77)40(68-45(37)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,64,75)(H,65,72)(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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1n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent




US Patent US10179804 (2019)


Article DOI: 10.1074/jbc.M702316200
BindingDB Entry DOI: 10.7270/Q24T6MFP
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135629
PNG
(US10179804, Example 14 | US8846601, 14 | US9458201...)
Show SMILES C[C@@H](OCc1ccccc1)[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(C)=O |r|
Show InChI InChI=1/C55H76N16O10/c1-32(81-31-35-17-7-4-8-18-35)46-53(80)70-42(27-34-15-5-3-6-16-34)50(77)67-41(23-14-26-63-55(59)60)49(76)68-43(28-36-30-64-38-20-10-9-19-37(36)38)51(78)66-39(47(56)74)21-11-12-24-61-45(73)29-44(52(79)71-46)69-48(75)40(65-33(2)72)22-13-25-62-54(57)58/h3-10,15-20,30,32,39-44,46,64H,11-14,21-29,31H2,1-2H3,(H2,56,74)(H,61,73)(H,65,72)(H,66,78)(H,67,77)(H,68,76)(H,69,75)(H,70,80)(H,71,79)(H4,57,58,62)(H4,59,60,63)/t32-,39+,40+,41+,42-,43+,44+,46+/s2
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1n/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))
BDBM135679
PNG
(US10179804, Example 64 | US8846601, 64 | US9458201...)
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](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H70N18O9/c1-28(69)62-35(15-8-20-58-49(52)53)43(72)65-37-17-18-41(70)57-19-7-14-34(42(51)71)63-47(76)39(23-30-25-60-33-13-6-5-12-32(30)33)67-44(73)36(16-9-21-59-50(54)55)64-46(75)38(22-29-10-3-2-4-11-29)66-48(77)40(68-45(37)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,64,75)(H,65,72)(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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1n/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))
BDBM135754
PNG
(US10179804, Example 139 | US8846601, 139 | 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)CC1CCCCC1 |r|
Show InChI InChI=1/C54H81N17O9/c55-23-22-40-49(77)69-41(27-32-13-3-1-4-14-32)50(78)67-39(21-12-26-63-54(59)60)48(76)70-42(29-34-31-64-36-18-8-7-17-35(34)36)51(79)66-37(46(56)74)19-9-10-24-61-44(72)30-43(52(80)68-40)71-47(75)38(20-11-25-62-53(57)58)65-45(73)28-33-15-5-2-6-16-33/h1,3-4,7-8,13-14,17-18,31,33,37-43,64H,2,5-6,9-12,15-16,19-30,55H2,(H2,56,74)(H,61,72)(H,65,73)(H,66,79)(H,67,78)(H,68,80)(H,69,77)(H,70,76)(H,71,75)(H4,57,58,62)(H4,59,60,63)/t37-,38-,39-,40-,41+,42-,43-/s2
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1n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent




US Patent US10179804 (2019)


Article DOI: 10.1074/jbc.M702316200
BindingDB Entry DOI: 10.7270/Q24T6MFP
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM253650
PNG
(US9458201, 96)
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](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H70N18O9/c1-28(69)62-34(16-9-19-58-49(52)53)43(72)63-35-15-7-8-18-57-41(70)24-37(42(51)71)65-47(76)39(22-30-25-60-33-14-6-5-13-32(30)33)67-45(74)36(17-10-20-59-50(54)55)64-46(75)38(21-29-11-3-2-4-12-29)66-48(77)40(68-44(35)73)23-31-26-56-27-61-31/h2-6,11-14,25-27,34-40,60H,7-10,15-24H2,1H3,(H2,51,71)(H,56,61)(H,57,70)(H,62,69)(H,63,72)(H,64,75)(H,65,76)(H,66,77)(H,67,74)(H,68,73)(H4,52,53,58)(H4,54,55,59)/t34-,35-,36-,37-,38+,39-,40-/s2
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1 -53.4n/an/an/an/an/an/a37



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed employing Eu-NDP-α-MSH (PerkinElmer Life Sciences catalog No. AD0225) with determination b...


US Patent US9458201 (2016)


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


(Homo sapiens (Human))
BDBM135725
PNG
(US10179804, Example 110 | US8846601, 110 | US94582...)
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](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)NC1CC1 |r|
Show InChI InChI=1/C53H74N18O9/c1-30(72)64-37(14-8-22-60-52(54)55)46(75)68-40-19-20-44(73)59-21-7-15-38(45(74)65-33-17-18-33)66-50(79)42(25-32-27-62-36-13-6-5-12-35(32)36)70-47(76)39(16-9-23-61-53(56)57)67-49(78)41(24-31-10-3-2-4-11-31)69-51(80)43(71-48(40)77)26-34-28-58-29-63-34/h2-6,10-13,27-29,33,37-43,62H,7-9,14-26H2,1H3,(H,58,63)(H,59,73)(H,64,72)(H,65,74)(H,66,79)(H,67,78)(H,68,75)(H,69,80)(H,70,76)(H,71,77)(H4,54,55,60)(H4,56,57,61)/t37-,38-,39-,40-,41+,42-,43-/s2
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1 -53.4n/an/an/an/an/an/a37



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed employing Eu-NDP-α-MSH (PerkinElmer Life Sciences catalog No. AD0225) with determination b...


US Patent US9458201 (2016)


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


(Homo sapiens (Human))
BDBM135741
PNG
(US10179804, Example 126 | US8846601, 126 | US94582...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCCC(=O)NCC[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(15-8-19-58-49(52)53)43(72)64-36-14-7-17-41(70)57-21-18-34(42(51)71)63-47(76)39(23-30-25-60-33-13-6-5-12-32(30)33)67-45(74)37(16-9-20-59-50(54)55)65-46(75)38(22-29-10-3-2-4-11-29)66-48(77)40(68-44(36)73)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,67,74)(H,68,73)(H4,52,53,58)(H4,54,55,59)/t34-,35-,36-,37-,38+,39-,40-/s2
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1 -53.4n/an/an/an/an/an/a37



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed employing Eu-NDP-α-MSH (PerkinElmer Life Sciences catalog No. AD0225) with determination b...


US Patent US9458201 (2016)


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


(Homo sapiens (Human))
BDBM135741
PNG
(US10179804, Example 126 | US8846601, 126 | US94582...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCCC(=O)NCC[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(15-8-19-58-49(52)53)43(72)64-36-14-7-17-41(70)57-21-18-34(42(51)71)63-47(76)39(23-30-25-60-33-13-6-5-12-32(30)33)67-45(74)37(16-9-20-59-50(54)55)65-46(75)38(22-29-10-3-2-4-11-29)66-48(77)40(68-44(36)73)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,67,74)(H,68,73)(H4,52,53,58)(H4,54,55,59)/t34-,35-,36-,37-,38+,39-,40-/s2
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1n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent




US Patent US10179804 (2019)


Article DOI: 10.1074/jbc.M702316200
BindingDB Entry DOI: 10.7270/Q24T6MFP
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135679
PNG
(US10179804, Example 64 | US8846601, 64 | US9458201...)
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](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H70N18O9/c1-28(69)62-35(15-8-20-58-49(52)53)43(72)65-37-17-18-41(70)57-19-7-14-34(42(51)71)63-47(76)39(23-30-25-60-33-13-6-5-12-32(30)33)67-44(73)36(16-9-21-59-50(54)55)64-46(75)38(22-29-10-3-2-4-11-29)66-48(77)40(68-45(37)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,64,75)(H,65,72)(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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1 -53.4n/an/an/an/an/an/a37



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed employing Eu-NDP-α-MSH (PerkinElmer Life Sciences catalog No. AD0225) with determination b...


US Patent US9458201 (2016)


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


(Homo sapiens (Human))
BDBM135629
PNG
(US10179804, Example 14 | US8846601, 14 | US9458201...)
Show SMILES C[C@@H](OCc1ccccc1)[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(C)=O |r|
Show InChI InChI=1/C55H76N16O10/c1-32(81-31-35-17-7-4-8-18-35)46-53(80)70-42(27-34-15-5-3-6-16-34)50(77)67-41(23-14-26-63-55(59)60)49(76)68-43(28-36-30-64-38-20-10-9-19-37(36)38)51(78)66-39(47(56)74)21-11-12-24-61-45(73)29-44(52(79)71-46)69-48(75)40(65-33(2)72)22-13-25-62-54(57)58/h3-10,15-20,30,32,39-44,46,64H,11-14,21-29,31H2,1-2H3,(H2,56,74)(H,61,73)(H,65,72)(H,66,78)(H,67,77)(H,68,76)(H,69,75)(H,70,80)(H,71,79)(H4,57,58,62)(H4,59,60,63)/t32-,39+,40+,41+,42-,43+,44+,46+/s2
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1 -53.4n/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
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