Found 215 hits with Last Name = 'daly' and Initial = 'nl' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)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](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
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UniChem
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| Article
PubMed
| 0.112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)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](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50389769
(BREMELANOTIDE)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(O)=O |r,wU:61.64,50.52,39.41,25.25,4.4,wD:12.11,21.75,(-11.27,-.98,;-11.98,-2.34,;-11.15,-3.64,;-9.61,-3.57,;-8.78,-4.87,;-9.49,-6.24,;-11.03,-6.31,;-11.73,-7.67,;-11.86,-5.01,;-7.24,-4.8,;-6.41,-6.1,;-6.53,-3.43,;-4.99,-3.36,;-4.15,-4.65,;-4.16,-6.3,;-5.38,-7.46,;9.13,-7.95,;9.83,-6.57,;8.99,-5.29,;9.68,-3.91,;8.85,-2.63,;9.54,-1.25,;8.7,.04,;7.17,-.04,;6.47,-1.42,;6.33,1.25,;7.03,2.62,;8.56,2.7,;9.53,1.55,;10.96,2.1,;10.89,3.65,;11.98,4.73,;11.57,6.22,;10.08,6.61,;9,5.52,;9.4,4.04,;4.79,1.16,;3.95,2.46,;4.65,3.83,;2.41,2.38,;1.57,3.67,;2.27,5.04,;3.81,5.12,;4.51,6.49,;6.04,6.57,;6.88,5.28,;6.74,7.95,;1.71,1,;.18,.92,;-.66,2.21,;-.52,-.45,;.32,-1.74,;1.86,-1.66,;2.69,-2.95,;4.24,-2.86,;4.93,-1.49,;4.09,-.2,;2.55,-.28,;-2.06,-.53,;-2.9,.76,;-2.2,2.13,;-4.44,.67,;-5.28,1.97,;-4.58,3.34,;-5.29,4.71,;-4.2,5.81,;-2.82,5.1,;-3.06,3.57,;-5.14,-.69,;-4.3,-1.99,;-2.76,-1.9,;11.08,-1.17,;11.92,-2.46,;11.78,.2,)| Show InChI InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263818
(CHEMBL4089162)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C78H115N23O16S2/c1-9-41(3)60-71(112)94-54-38-118-119-39-55(68(109)97-62(44(6)103)72(113)88-43(5)63(104)92-53(37-102)66(107)96-61(42(4)10-2)76(117)101-31-19-27-58(101)75(116)100-30-18-26-56(100)69(110)95-60)93-64(105)50(24-16-28-84-77(79)80)89-70(111)59(33-46-35-86-49-23-15-14-22-48(46)49)99(8)74(115)57(25-17-29-85-78(81)82)98(7)73(114)52(32-45-20-12-11-13-21-45)91-65(106)51(90-67(54)108)34-47-36-83-40-87-47/h11-15,20-23,35-36,40-44,50-62,86,102-103H,9-10,16-19,24-34,37-39H2,1-8H3,(H,83,87)(H,88,113)(H,89,111)(H,90,108)(H,91,106)(H,92,104)(H,93,105)(H,94,112)(H,95,110)(H,96,107)(H,97,109)(H4,79,80,84)(H4,81,82,85)/t41-,42-,43-,44-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1 | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263819
(CHEMBL4060381)Show SMILES C[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(N)=O |r| Show InChI InChI=1S/C49H70N18O9S2/c1-26(60-47(76)39(24-78)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52)41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(45(74)66-38(23-77)40(50)69)19-29-21-58-32-13-7-6-12-31(29)32/h3-7,10-13,21-22,25-26,33-39,58,77-78H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57)/t26-,33+,34+,35-,36+,37+,38+,39+/m1/s1 | PDB
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263814
(CHEMBL4101216)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C77H113N23O16S2/c1-8-40(3)59-71(112)94-54-37-117-118-38-55(68(109)97-61(43(6)102)72(113)87-42(5)62(103)92-53(36-101)66(107)96-60(41(4)9-2)75(116)100-30-18-26-57(100)74(115)99-29-17-25-56(99)69(110)95-59)93-63(104)49(23-15-27-83-76(78)79)88-70(111)58(32-45-34-85-48-22-14-13-21-47(45)48)98(7)73(114)50(24-16-28-84-77(80)81)89-64(105)51(31-44-19-11-10-12-20-44)90-65(106)52(91-67(54)108)33-46-35-82-39-86-46/h10-14,19-22,34-35,39-43,49-61,85,101-102H,8-9,15-18,23-33,36-38H2,1-7H3,(H,82,86)(H,87,113)(H,88,111)(H,89,105)(H,90,106)(H,91,108)(H,92,103)(H,93,104)(H,94,112)(H,95,110)(H,96,107)(H,97,109)(H4,78,79,83)(H4,80,81,84)/t40-,41-,42-,43-,49-,50-,51+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1 | PDB
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| Article
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263819
(CHEMBL4060381)Show SMILES C[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(N)=O |r| Show InChI InChI=1S/C49H70N18O9S2/c1-26(60-47(76)39(24-78)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52)41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(45(74)66-38(23-77)40(50)69)19-29-21-58-32-13-7-6-12-31(29)32/h3-7,10-13,21-22,25-26,33-39,58,77-78H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57)/t26-,33+,34+,35-,36+,37+,38+,39+/m1/s1 | PDB
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| Article
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263841
(CHEMBL4084765)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C77H113N23O16S2/c1-8-40(3)59-71(112)94-54-37-117-118-38-55(68(109)97-61(43(6)102)72(113)87-42(5)62(103)92-53(36-101)66(107)96-60(41(4)9-2)75(116)100-30-18-26-58(100)74(115)99-29-17-25-57(99)70(111)95-59)93-63(104)49(23-15-27-83-76(78)79)88-64(105)50(32-45-34-85-48-22-14-13-21-47(45)48)90-69(110)56(24-16-28-84-77(80)81)98(7)73(114)52(31-44-19-11-10-12-20-44)91-65(106)51(89-67(54)108)33-46-35-82-39-86-46/h10-14,19-22,34-35,39-43,49-61,85,101-102H,8-9,15-18,23-33,36-38H2,1-7H3,(H,82,86)(H,87,113)(H,88,105)(H,89,108)(H,90,110)(H,91,106)(H,92,103)(H,93,104)(H,94,112)(H,95,111)(H,96,107)(H,97,109)(H4,78,79,83)(H4,80,81,84)/t40-,41-,42-,43-,49-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1 | PDB
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| PC cid
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| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263816
(CHEMBL4067967)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C78H115N23O16S2/c1-9-41(3)60-71(112)94-55-39-119-118-38-54(67(108)97-62(44(6)103)72(113)88-43(5)63(104)92-53(37-102)66(107)96-61(42(4)10-2)76(117)101-31-19-27-57(101)75(116)100-30-18-26-56(100)68(109)95-60)93-64(105)50(24-16-28-84-77(79)80)89-69(110)58(33-46-35-86-49-23-15-14-22-48(46)49)98(7)73(114)51(25-17-29-85-78(81)82)90-65(106)52(32-45-20-12-11-13-21-45)91-70(111)59(99(8)74(55)115)34-47-36-83-40-87-47/h11-15,20-23,35-36,40-44,50-62,86,102-103H,9-10,16-19,24-34,37-39H2,1-8H3,(H,83,87)(H,88,113)(H,89,110)(H,90,106)(H,91,111)(H,92,104)(H,93,105)(H,94,112)(H,95,109)(H,96,107)(H,97,108)(H4,79,80,84)(H4,81,82,85)/t41-,42-,43-,44-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1 | PDB
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| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263843
(CHEMBL4098785)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C79H117N23O16S2/c1-10-42(3)61-71(112)94-55-40-120-119-39-54(67(108)97-63(45(6)104)72(113)89-44(5)64(105)92-53(38-103)66(107)96-62(43(4)11-2)77(118)102-32-20-28-58(102)76(117)101-31-19-27-56(101)68(109)95-61)93-65(106)51(25-17-29-85-78(80)81)90-69(110)59(34-47-36-87-50-24-16-15-23-49(47)50)100(9)75(116)57(26-18-30-86-79(82)83)98(7)73(114)52(33-46-21-13-12-14-22-46)91-70(111)60(99(8)74(55)115)35-48-37-84-41-88-48/h12-16,21-24,36-37,41-45,51-63,87,103-104H,10-11,17-20,25-35,38-40H2,1-9H3,(H,84,88)(H,89,113)(H,90,110)(H,91,111)(H,92,105)(H,93,106)(H,94,112)(H,95,109)(H,96,107)(H,97,108)(H4,80,81,85)(H4,82,83,86)/t42-,43-,44-,45-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1 | PDB
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| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50263819
(CHEMBL4060381)Show SMILES C[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(N)=O |r| Show InChI InChI=1S/C49H70N18O9S2/c1-26(60-47(76)39(24-78)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52)41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(45(74)66-38(23-77)40(50)69)19-29-21-58-32-13-7-6-12-31(29)32/h3-7,10-13,21-22,25-26,33-39,58,77-78H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57)/t26-,33+,34+,35-,36+,37+,38+,39+/m1/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)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](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50389769
(BREMELANOTIDE)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(O)=O |r,wU:61.64,50.52,39.41,25.25,4.4,wD:12.11,21.75,(-11.27,-.98,;-11.98,-2.34,;-11.15,-3.64,;-9.61,-3.57,;-8.78,-4.87,;-9.49,-6.24,;-11.03,-6.31,;-11.73,-7.67,;-11.86,-5.01,;-7.24,-4.8,;-6.41,-6.1,;-6.53,-3.43,;-4.99,-3.36,;-4.15,-4.65,;-4.16,-6.3,;-5.38,-7.46,;9.13,-7.95,;9.83,-6.57,;8.99,-5.29,;9.68,-3.91,;8.85,-2.63,;9.54,-1.25,;8.7,.04,;7.17,-.04,;6.47,-1.42,;6.33,1.25,;7.03,2.62,;8.56,2.7,;9.53,1.55,;10.96,2.1,;10.89,3.65,;11.98,4.73,;11.57,6.22,;10.08,6.61,;9,5.52,;9.4,4.04,;4.79,1.16,;3.95,2.46,;4.65,3.83,;2.41,2.38,;1.57,3.67,;2.27,5.04,;3.81,5.12,;4.51,6.49,;6.04,6.57,;6.88,5.28,;6.74,7.95,;1.71,1,;.18,.92,;-.66,2.21,;-.52,-.45,;.32,-1.74,;1.86,-1.66,;2.69,-2.95,;4.24,-2.86,;4.93,-1.49,;4.09,-.2,;2.55,-.28,;-2.06,-.53,;-2.9,.76,;-2.2,2.13,;-4.44,.67,;-5.28,1.97,;-4.58,3.34,;-5.29,4.71,;-4.2,5.81,;-2.82,5.1,;-3.06,3.57,;-5.14,-.69,;-4.3,-1.99,;-2.76,-1.9,;11.08,-1.17,;11.92,-2.46,;11.78,.2,)| Show InChI InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263804
(CHEMBL4074074)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C76H111N23O16S2/c1-7-39(3)58-71(112)94-54-36-116-117-37-55(69(110)97-60(42(6)101)72(113)86-41(5)61(102)92-53(35-100)67(108)96-59(40(4)8-2)74(115)99-29-17-25-57(99)73(114)98-28-16-24-56(98)70(111)95-58)93-63(104)49(23-15-27-83-76(79)80)88-65(106)51(31-44-33-84-47-21-13-12-20-46(44)47)90-62(103)48(22-14-26-82-75(77)78)87-64(105)50(30-43-18-10-9-11-19-43)89-66(107)52(91-68(54)109)32-45-34-81-38-85-45/h9-13,18-21,33-34,38-42,48-60,84,100-101H,7-8,14-17,22-32,35-37H2,1-6H3,(H,81,85)(H,86,113)(H,87,105)(H,88,106)(H,89,107)(H,90,103)(H,91,109)(H,92,102)(H,93,104)(H,94,112)(H,95,111)(H,96,108)(H,97,110)(H4,77,78,82)(H4,79,80,83)/t39-,40-,41-,42-,48-,49-,50+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253820
((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C68H100N18O23S4/c1-31(2)19-36-55(95)76-38(22-50(70)89)57(97)79-41(23-51(71)90)66(106)84-16-6-9-47(84)63(103)77-39(24-53(92)93)58(98)75-37(21-34-12-14-35(88)15-13-34)56(96)83-46(68(108)109)30-113-112-29-45-62(102)80-42(26-87)59(99)78-40(20-32(3)4)65(105)86-18-8-11-49(86)67(107)85-17-7-10-48(85)64(104)82-44(60(100)72-33(5)54(94)74-36)28-111-110-27-43(61(101)81-45)73-52(91)25-69/h12-15,31-33,36-49,87-88H,6-11,16-30,69H2,1-5H3,(H2,70,89)(H2,71,90)(H,72,100)(H,73,91)(H,74,94)(H,75,98)(H,76,95)(H,77,103)(H,78,99)(H,79,97)(H,80,102)(H,81,101)(H,82,104)(H,83,96)(H,92,93)(H,108,109)/t33-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
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PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253821
((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O)C(O)=O |r| Show InChI InChI=1S/C65H94N18O23S4/c1-29(2)18-37-62(102)83-17-7-10-46(83)64(104)82-16-6-9-45(82)61(101)79-41-26-108-107-25-40(71-49(88)23-66)58(98)78-42(59(99)77-39(24-84)56(96)75-37)27-109-110-28-43(65(105)106)80-53(93)34(19-32-11-13-33(85)14-12-32)73-55(95)36(22-50(89)90)74-60(100)44-8-5-15-81(44)63(103)38(21-48(68)87)76-54(94)35(20-47(67)86)72-52(92)31(4)69-51(91)30(3)70-57(41)97/h11-14,29-31,34-46,84-85H,5-10,15-28,66H2,1-4H3,(H2,67,86)(H2,68,87)(H,69,91)(H,70,97)(H,71,88)(H,72,92)(H,73,95)(H,74,100)(H,75,96)(H,76,94)(H,77,99)(H,78,98)(H,79,101)(H,80,93)(H,89,90)(H,105,106)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
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| 124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263815
(CHEMBL4074479)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C78H115N23O16S2/c1-9-41(3)60-71(112)94-55-39-119-118-38-54(67(108)97-62(44(6)103)72(113)88-43(5)63(104)92-53(37-102)66(107)96-61(42(4)10-2)76(117)101-31-19-27-58(101)75(116)100-30-18-26-57(100)69(110)95-60)93-64(105)50(24-16-28-84-77(79)80)89-65(106)51(33-46-35-86-49-23-15-14-22-48(46)49)90-68(109)56(25-17-29-85-78(81)82)98(7)73(114)52(32-45-20-12-11-13-21-45)91-70(111)59(99(8)74(55)115)34-47-36-83-40-87-47/h11-15,20-23,35-36,40-44,50-62,86,102-103H,9-10,16-19,24-34,37-39H2,1-8H3,(H,83,87)(H,88,113)(H,89,106)(H,90,109)(H,91,111)(H,92,104)(H,93,105)(H,94,112)(H,95,110)(H,96,107)(H,97,108)(H4,79,80,84)(H4,81,82,85)/t41-,42-,43-,44-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1 | PDB
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| 129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50389769
(BREMELANOTIDE)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(O)=O |r,wU:61.64,50.52,39.41,25.25,4.4,wD:12.11,21.75,(-11.27,-.98,;-11.98,-2.34,;-11.15,-3.64,;-9.61,-3.57,;-8.78,-4.87,;-9.49,-6.24,;-11.03,-6.31,;-11.73,-7.67,;-11.86,-5.01,;-7.24,-4.8,;-6.41,-6.1,;-6.53,-3.43,;-4.99,-3.36,;-4.15,-4.65,;-4.16,-6.3,;-5.38,-7.46,;9.13,-7.95,;9.83,-6.57,;8.99,-5.29,;9.68,-3.91,;8.85,-2.63,;9.54,-1.25,;8.7,.04,;7.17,-.04,;6.47,-1.42,;6.33,1.25,;7.03,2.62,;8.56,2.7,;9.53,1.55,;10.96,2.1,;10.89,3.65,;11.98,4.73,;11.57,6.22,;10.08,6.61,;9,5.52,;9.4,4.04,;4.79,1.16,;3.95,2.46,;4.65,3.83,;2.41,2.38,;1.57,3.67,;2.27,5.04,;3.81,5.12,;4.51,6.49,;6.04,6.57,;6.88,5.28,;6.74,7.95,;1.71,1,;.18,.92,;-.66,2.21,;-.52,-.45,;.32,-1.74,;1.86,-1.66,;2.69,-2.95,;4.24,-2.86,;4.93,-1.49,;4.09,-.2,;2.55,-.28,;-2.06,-.53,;-2.9,.76,;-2.2,2.13,;-4.44,.67,;-5.28,1.97,;-4.58,3.34,;-5.29,4.71,;-4.2,5.81,;-2.82,5.1,;-3.06,3.57,;-5.14,-.69,;-4.3,-1.99,;-2.76,-1.9,;11.08,-1.17,;11.92,-2.46,;11.78,.2,)| Show InChI InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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PubMed
| 191 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263839
(CHEMBL4102353)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r| Show InChI InChI=1S/C81H111N23O17S2/c1-6-44(2)65-74(116)98-57-41-122-123-42-58(97-68(110)52(25-15-29-87-80(82)83)92-63(106)40-90-67(109)54(37-64(107)108)93-72(114)59-27-17-31-103(59)77(119)56(96-70(57)112)34-47-21-11-8-12-22-47)71(113)100-66(45(3)105)75(117)94-53(36-49-39-86-43-91-49)69(111)95-55(33-46-19-9-7-10-20-46)76(118)101(4)61(26-16-30-88-81(84)85)78(120)102(5)62(35-48-38-89-51-24-14-13-23-50(48)51)79(121)104-32-18-28-60(104)73(115)99-65/h7-14,19-24,38-39,43-45,52-62,65-66,89,105H,6,15-18,25-37,40-42H2,1-5H3,(H,86,91)(H,90,109)(H,92,106)(H,93,114)(H,94,117)(H,95,111)(H,96,112)(H,97,110)(H,98,116)(H,99,115)(H,100,113)(H,107,108)(H4,82,83,87)(H4,84,85,88)/t44-,45+,52-,53-,54-,55+,56-,57-,58-,59-,60-,61-,62-,65-,66-/m0/s1 | PDB
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| 219 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263820
(CHEMBL4104465)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r| Show InChI InChI=1S/C79H107N23O17S2/c1-4-42(2)63-74(116)98-57-39-120-121-40-58(97-66(108)50(23-13-27-85-78(80)81)90-61(104)38-88-65(107)54(35-62(105)106)93-72(114)59-25-15-29-101(59)76(118)55(95-70(57)112)32-45-19-9-6-10-20-45)71(113)100-64(43(3)103)75(117)94-53(34-47-37-84-41-89-47)69(111)92-52(31-44-17-7-5-8-18-44)68(110)91-51(24-14-28-86-79(82)83)67(109)96-56(33-46-36-87-49-22-12-11-21-48(46)49)77(119)102-30-16-26-60(102)73(115)99-63/h5-12,17-22,36-37,41-43,50-60,63-64,87,103H,4,13-16,23-35,38-40H2,1-3H3,(H,84,89)(H,88,107)(H,90,104)(H,91,110)(H,92,111)(H,93,114)(H,94,117)(H,95,112)(H,96,109)(H,97,108)(H,98,116)(H,99,115)(H,100,113)(H,105,106)(H4,80,81,85)(H4,82,83,86)/t42-,43+,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,63-,64-/m0/s1 | PDB
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| 282 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50263814
(CHEMBL4101216)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C77H113N23O16S2/c1-8-40(3)59-71(112)94-54-37-117-118-38-55(68(109)97-61(43(6)102)72(113)87-42(5)62(103)92-53(36-101)66(107)96-60(41(4)9-2)75(116)100-30-18-26-57(100)74(115)99-29-17-25-56(99)69(110)95-59)93-63(104)49(23-15-27-83-76(78)79)88-70(111)58(32-45-34-85-48-22-14-13-21-47(45)48)98(7)73(114)50(24-16-28-84-77(80)81)89-64(105)51(31-44-19-11-10-12-20-44)90-65(106)52(91-67(54)108)33-46-35-82-39-86-46/h10-14,19-22,34-35,39-43,49-61,85,101-102H,8-9,15-18,23-33,36-38H2,1-7H3,(H,82,86)(H,87,113)(H,88,111)(H,89,105)(H,90,106)(H,91,108)(H,92,103)(H,93,104)(H,94,112)(H,95,110)(H,96,107)(H,97,109)(H4,78,79,83)(H4,80,81,84)/t40-,41-,42-,43-,49-,50-,51+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1 | PDB
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| 324 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263822
(CHEMBL4073016)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r| Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)53(36-63(106)107)92-72(114)60-26-16-30-102(60)77(119)55(95-69(57)111)33-46-20-10-7-11-21-46)70(112)100-65(44(3)104)75(117)93-52(35-48-38-85-42-90-48)68(110)94-54(32-45-18-8-6-9-19-45)76(118)101(4)59(25-15-29-87-80(83)84)71(113)96-56(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-61(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,114)(H,93,117)(H,94,110)(H,95,111)(H,96,113)(H,97,109)(H,98,116)(H,99,115)(H,100,112)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53-,54+,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1 | PDB
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| 339 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263840
(CHEMBL4094606)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C76H111N23O16S2/c1-7-39(3)58-71(112)94-54-36-116-117-37-55(69(110)97-60(42(6)101)72(113)86-41(5)61(102)92-53(35-100)67(108)96-59(40(4)8-2)74(115)99-29-17-25-57(99)73(114)98-28-16-24-56(98)70(111)95-58)93-63(104)49(23-15-27-83-76(79)80)88-65(106)51(31-44-33-84-47-21-13-12-20-46(44)47)90-62(103)48(22-14-26-82-75(77)78)87-64(105)50(30-43-18-10-9-11-19-43)89-66(107)52(91-68(54)109)32-45-34-81-38-85-45/h9-13,18-21,33-34,38-42,48-60,84,100-101H,7-8,14-17,22-32,35-37H2,1-6H3,(H,81,85)(H,86,113)(H,87,105)(H,88,106)(H,89,107)(H,90,103)(H,91,109)(H,92,102)(H,93,104)(H,94,112)(H,95,111)(H,96,108)(H,97,110)(H4,77,78,82)(H4,79,80,83)/t39-,40-,41-,42-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
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| 363 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263813
(CHEMBL4063111)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C77H113N23O16S2/c1-8-40(3)59-71(112)94-55-38-118-117-37-54(68(109)97-61(43(6)102)72(113)87-42(5)62(103)92-53(36-101)67(108)96-60(41(4)9-2)75(116)100-30-18-26-57(100)74(115)99-29-17-25-56(99)69(110)95-59)93-64(105)50(24-16-28-84-77(80)81)89-66(107)52(32-45-34-85-48-22-14-13-21-47(45)48)90-63(104)49(23-15-27-83-76(78)79)88-65(106)51(31-44-19-11-10-12-20-44)91-70(111)58(98(7)73(55)114)33-46-35-82-39-86-46/h10-14,19-22,34-35,39-43,49-61,85,101-102H,8-9,15-18,23-33,36-38H2,1-7H3,(H,82,86)(H,87,113)(H,88,106)(H,89,107)(H,90,104)(H,91,111)(H,92,103)(H,93,105)(H,94,112)(H,95,110)(H,96,108)(H,97,109)(H4,78,79,83)(H4,80,81,84)/t40-,41-,42-,43-,49-,50-,51+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1 | PDB
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| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263822
(CHEMBL4073016)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r| Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)53(36-63(106)107)92-72(114)60-26-16-30-102(60)77(119)55(95-69(57)111)33-46-20-10-7-11-21-46)70(112)100-65(44(3)104)75(117)93-52(35-48-38-85-42-90-48)68(110)94-54(32-45-18-8-6-9-19-45)76(118)101(4)59(25-15-29-87-80(83)84)71(113)96-56(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-61(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,114)(H,93,117)(H,94,110)(H,95,111)(H,96,113)(H,97,109)(H,98,116)(H,99,115)(H,100,112)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53-,54+,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1 | PDB
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| 617 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263816
(CHEMBL4067967)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C78H115N23O16S2/c1-9-41(3)60-71(112)94-55-39-119-118-38-54(67(108)97-62(44(6)103)72(113)88-43(5)63(104)92-53(37-102)66(107)96-61(42(4)10-2)76(117)101-31-19-27-57(101)75(116)100-30-18-26-56(100)68(109)95-60)93-64(105)50(24-16-28-84-77(79)80)89-69(110)58(33-46-35-86-49-23-15-14-22-48(46)49)98(7)73(114)51(25-17-29-85-78(81)82)90-65(106)52(32-45-20-12-11-13-21-45)91-70(111)59(99(8)74(55)115)34-47-36-83-40-87-47/h11-15,20-23,35-36,40-44,50-62,86,102-103H,9-10,16-19,24-34,37-39H2,1-8H3,(H,83,87)(H,88,113)(H,89,110)(H,90,106)(H,91,111)(H,92,104)(H,93,105)(H,94,112)(H,95,109)(H,96,107)(H,97,108)(H4,79,80,84)(H4,81,82,85)/t41-,42-,43-,44-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1 | PDB
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| 741 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263842
(CHEMBL4099889)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r| Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)55(36-63(106)107)94-72(114)59-26-16-30-102(59)77(119)56(96-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)75(117)95-54(35-48-38-85-42-90-48)69(111)93-53(32-45-18-8-6-9-19-45)68(110)92-52(25-15-29-87-80(83)84)76(118)101(4)61(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,110)(H,93,111)(H,94,114)(H,95,117)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1 | PDB
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| 832 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263814
(CHEMBL4101216)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C77H113N23O16S2/c1-8-40(3)59-71(112)94-54-37-117-118-38-55(68(109)97-61(43(6)102)72(113)87-42(5)62(103)92-53(36-101)66(107)96-60(41(4)9-2)75(116)100-30-18-26-57(100)74(115)99-29-17-25-56(99)69(110)95-59)93-63(104)49(23-15-27-83-76(78)79)88-70(111)58(32-45-34-85-48-22-14-13-21-47(45)48)98(7)73(114)50(24-16-28-84-77(80)81)89-64(105)51(31-44-19-11-10-12-20-44)90-65(106)52(91-67(54)108)33-46-35-82-39-86-46/h10-14,19-22,34-35,39-43,49-61,85,101-102H,8-9,15-18,23-33,36-38H2,1-7H3,(H,82,86)(H,87,113)(H,88,111)(H,89,105)(H,90,106)(H,91,108)(H,92,103)(H,93,104)(H,94,112)(H,95,110)(H,96,107)(H,97,109)(H4,78,79,83)(H4,80,81,84)/t40-,41-,42-,43-,49-,50-,51+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1 | PDB
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| 832 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263839
(CHEMBL4102353)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r| Show InChI InChI=1S/C81H111N23O17S2/c1-6-44(2)65-74(116)98-57-41-122-123-42-58(97-68(110)52(25-15-29-87-80(82)83)92-63(106)40-90-67(109)54(37-64(107)108)93-72(114)59-27-17-31-103(59)77(119)56(96-70(57)112)34-47-21-11-8-12-22-47)71(113)100-66(45(3)105)75(117)94-53(36-49-39-86-43-91-49)69(111)95-55(33-46-19-9-7-10-20-46)76(118)101(4)61(26-16-30-88-81(84)85)78(120)102(5)62(35-48-38-89-51-24-14-13-23-50(48)51)79(121)104-32-18-28-60(104)73(115)99-65/h7-14,19-24,38-39,43-45,52-62,65-66,89,105H,6,15-18,25-37,40-42H2,1-5H3,(H,86,91)(H,90,109)(H,92,106)(H,93,114)(H,94,117)(H,95,111)(H,96,112)(H,97,110)(H,98,116)(H,99,115)(H,100,113)(H,107,108)(H4,82,83,87)(H4,84,85,88)/t44-,45+,52-,53-,54-,55+,56-,57-,58-,59-,60-,61-,62-,65-,66-/m0/s1 | PDB
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| <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50263822
(CHEMBL4073016)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r| Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)53(36-63(106)107)92-72(114)60-26-16-30-102(60)77(119)55(95-69(57)111)33-46-20-10-7-11-21-46)70(112)100-65(44(3)104)75(117)93-52(35-48-38-85-42-90-48)68(110)94-54(32-45-18-8-6-9-19-45)76(118)101(4)59(25-15-29-87-80(83)84)71(113)96-56(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-61(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,114)(H,93,117)(H,94,110)(H,95,111)(H,96,113)(H,97,109)(H,98,116)(H,99,115)(H,100,112)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53-,54+,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1 | PDB
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| PC cid
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Similars
| Article
PubMed
| <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50263818
(CHEMBL4089162)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C78H115N23O16S2/c1-9-41(3)60-71(112)94-54-38-118-119-39-55(68(109)97-62(44(6)103)72(113)88-43(5)63(104)92-53(37-102)66(107)96-61(42(4)10-2)76(117)101-31-19-27-58(101)75(116)100-30-18-26-56(100)69(110)95-60)93-64(105)50(24-16-28-84-77(79)80)89-70(111)59(33-46-35-86-49-23-15-14-22-48(46)49)99(8)74(115)57(25-17-29-85-78(81)82)98(7)73(114)52(32-45-20-12-11-13-21-45)91-65(106)51(90-67(54)108)34-47-36-83-40-87-47/h11-15,20-23,35-36,40-44,50-62,86,102-103H,9-10,16-19,24-34,37-39H2,1-8H3,(H,83,87)(H,88,113)(H,89,111)(H,90,108)(H,91,106)(H,92,104)(H,93,105)(H,94,112)(H,95,110)(H,96,107)(H,97,109)(H4,79,80,84)(H4,81,82,85)/t41-,42-,43-,44-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263818
(CHEMBL4089162)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C78H115N23O16S2/c1-9-41(3)60-71(112)94-54-38-118-119-39-55(68(109)97-62(44(6)103)72(113)88-43(5)63(104)92-53(37-102)66(107)96-61(42(4)10-2)76(117)101-31-19-27-58(101)75(116)100-30-18-26-56(100)69(110)95-60)93-64(105)50(24-16-28-84-77(79)80)89-70(111)59(33-46-35-86-49-23-15-14-22-48(46)49)99(8)74(115)57(25-17-29-85-78(81)82)98(7)73(114)52(32-45-20-12-11-13-21-45)91-65(106)51(90-67(54)108)34-47-36-83-40-87-47/h11-15,20-23,35-36,40-44,50-62,86,102-103H,9-10,16-19,24-34,37-39H2,1-8H3,(H,83,87)(H,88,113)(H,89,111)(H,90,108)(H,91,106)(H,92,104)(H,93,105)(H,94,112)(H,95,110)(H,96,107)(H,97,109)(H4,79,80,84)(H4,81,82,85)/t41-,42-,43-,44-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1 | PDB
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PubMed
| <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263804
(CHEMBL4074074)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C76H111N23O16S2/c1-7-39(3)58-71(112)94-54-36-116-117-37-55(69(110)97-60(42(6)101)72(113)86-41(5)61(102)92-53(35-100)67(108)96-59(40(4)8-2)74(115)99-29-17-25-57(99)73(114)98-28-16-24-56(98)70(111)95-58)93-63(104)49(23-15-27-83-76(79)80)88-65(106)51(31-44-33-84-47-21-13-12-20-46(44)47)90-62(103)48(22-14-26-82-75(77)78)87-64(105)50(30-43-18-10-9-11-19-43)89-66(107)52(91-68(54)109)32-45-34-81-38-85-45/h9-13,18-21,33-34,38-42,48-60,84,100-101H,7-8,14-17,22-32,35-37H2,1-6H3,(H,81,85)(H,86,113)(H,87,105)(H,88,106)(H,89,107)(H,90,103)(H,91,109)(H,92,102)(H,93,104)(H,94,112)(H,95,111)(H,96,108)(H,97,110)(H4,77,78,82)(H4,79,80,83)/t39-,40-,41-,42-,48-,49-,50+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
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PubMed
| <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50263804
(CHEMBL4074074)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C76H111N23O16S2/c1-7-39(3)58-71(112)94-54-36-116-117-37-55(69(110)97-60(42(6)101)72(113)86-41(5)61(102)92-53(35-100)67(108)96-59(40(4)8-2)74(115)99-29-17-25-57(99)73(114)98-28-16-24-56(98)70(111)95-58)93-63(104)49(23-15-27-83-76(79)80)88-65(106)51(31-44-33-84-47-21-13-12-20-46(44)47)90-62(103)48(22-14-26-82-75(77)78)87-64(105)50(30-43-18-10-9-11-19-43)89-66(107)52(91-68(54)109)32-45-34-81-38-85-45/h9-13,18-21,33-34,38-42,48-60,84,100-101H,7-8,14-17,22-32,35-37H2,1-6H3,(H,81,85)(H,86,113)(H,87,105)(H,88,106)(H,89,107)(H,90,103)(H,91,109)(H,92,102)(H,93,104)(H,94,112)(H,95,111)(H,96,108)(H,97,110)(H4,77,78,82)(H4,79,80,83)/t39-,40-,41-,42-,48-,49-,50+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
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UniChem
Similars
| Article
PubMed
| <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263830
(CHEMBL4064433)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r| Show InChI InChI=1S/C81H111N23O17S2/c1-6-44(2)65-75(117)98-57-41-122-123-42-58(97-68(110)52(25-15-29-87-80(82)83)92-63(106)40-90-67(109)53(37-64(107)108)93-72(114)60-27-17-31-103(60)77(119)55(94-69(57)111)34-47-21-11-8-12-22-47)70(112)100-66(45(3)105)79(121)102(5)62(36-49-39-86-43-91-49)74(116)95-54(33-46-19-9-7-10-20-46)76(118)101(4)59(26-16-30-88-81(84)85)71(113)96-56(35-48-38-89-51-24-14-13-23-50(48)51)78(120)104-32-18-28-61(104)73(115)99-65/h7-14,19-24,38-39,43-45,52-62,65-66,89,105H,6,15-18,25-37,40-42H2,1-5H3,(H,86,91)(H,90,109)(H,92,106)(H,93,114)(H,94,111)(H,95,116)(H,96,113)(H,97,110)(H,98,117)(H,99,115)(H,100,112)(H,107,108)(H4,82,83,87)(H4,84,85,88)/t44-,45+,52-,53-,54+,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-/m0/s1 | PDB
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| Article
PubMed
| 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263843
(CHEMBL4098785)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C79H117N23O16S2/c1-10-42(3)61-71(112)94-55-40-120-119-39-54(67(108)97-63(45(6)104)72(113)89-44(5)64(105)92-53(38-103)66(107)96-62(43(4)11-2)77(118)102-32-20-28-58(102)76(117)101-31-19-27-56(101)68(109)95-61)93-65(106)51(25-17-29-85-78(80)81)90-69(110)59(34-47-36-87-50-24-16-15-23-49(47)50)100(9)75(116)57(26-18-30-86-79(82)83)98(7)73(114)52(33-46-21-13-12-14-22-46)91-70(111)60(99(8)74(55)115)35-48-37-84-41-88-48/h12-16,21-24,36-37,41-45,51-63,87,103-104H,10-11,17-20,25-35,38-40H2,1-9H3,(H,84,88)(H,89,113)(H,90,110)(H,91,111)(H,92,105)(H,93,106)(H,94,112)(H,95,109)(H,96,107)(H,97,108)(H4,80,81,85)(H4,82,83,86)/t42-,43-,44-,45-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1 | PDB
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| PC cid
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| Article
PubMed
| 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263841
(CHEMBL4084765)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C77H113N23O16S2/c1-8-40(3)59-71(112)94-54-37-117-118-38-55(68(109)97-61(43(6)102)72(113)87-42(5)62(103)92-53(36-101)66(107)96-60(41(4)9-2)75(116)100-30-18-26-58(100)74(115)99-29-17-25-57(99)70(111)95-59)93-63(104)49(23-15-27-83-76(78)79)88-64(105)50(32-45-34-85-48-22-14-13-21-47(45)48)90-69(110)56(24-16-28-84-77(80)81)98(7)73(114)52(31-44-19-11-10-12-20-44)91-65(106)51(89-67(54)108)33-46-35-82-39-86-46/h10-14,19-22,34-35,39-43,49-61,85,101-102H,8-9,15-18,23-33,36-38H2,1-7H3,(H,82,86)(H,87,113)(H,88,105)(H,89,108)(H,90,110)(H,91,106)(H,92,103)(H,93,104)(H,94,112)(H,95,111)(H,96,107)(H,97,109)(H4,78,79,83)(H4,80,81,84)/t40-,41-,42-,43-,49-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1 | PDB
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UniProtKB/SwissProt
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| PC cid
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| Article
PubMed
| 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50263816
(CHEMBL4067967)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C78H115N23O16S2/c1-9-41(3)60-71(112)94-55-39-119-118-38-54(67(108)97-62(44(6)103)72(113)88-43(5)63(104)92-53(37-102)66(107)96-61(42(4)10-2)76(117)101-31-19-27-57(101)75(116)100-30-18-26-56(100)68(109)95-60)93-64(105)50(24-16-28-84-77(79)80)89-69(110)58(33-46-35-86-49-23-15-14-22-48(46)49)98(7)73(114)51(25-17-29-85-78(81)82)90-65(106)52(32-45-20-12-11-13-21-45)91-70(111)59(99(8)74(55)115)34-47-36-83-40-87-47/h11-15,20-23,35-36,40-44,50-62,86,102-103H,9-10,16-19,24-34,37-39H2,1-8H3,(H,83,87)(H,88,113)(H,89,110)(H,90,106)(H,91,111)(H,92,104)(H,93,105)(H,94,112)(H,95,109)(H,96,107)(H,97,108)(H4,79,80,84)(H4,81,82,85)/t41-,42-,43-,44-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263838
(CHEMBL4092141)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r| Show InChI InChI=1S/C81H111N23O17S2/c1-6-44(2)65-75(117)98-57-41-122-123-42-58(97-68(110)52(25-15-29-87-80(82)83)92-63(106)40-90-67(109)55(37-64(107)108)95-72(114)59-27-17-31-103(59)77(119)56(96-70(57)112)34-47-21-11-8-12-22-47)71(113)100-66(45(3)105)79(121)101(4)61(36-49-39-86-43-91-49)74(116)94-54(33-46-19-9-7-10-20-46)69(111)93-53(26-16-30-88-81(84)85)76(118)102(5)62(35-48-38-89-51-24-14-13-23-50(48)51)78(120)104-32-18-28-60(104)73(115)99-65/h7-14,19-24,38-39,43-45,52-62,65-66,89,105H,6,15-18,25-37,40-42H2,1-5H3,(H,86,91)(H,90,109)(H,92,106)(H,93,111)(H,94,116)(H,95,114)(H,96,112)(H,97,110)(H,98,117)(H,99,115)(H,100,113)(H,107,108)(H4,82,83,87)(H4,84,85,88)/t44-,45+,52-,53-,54+,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-/m0/s1 | PDB
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| Article
PubMed
| 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263838
(CHEMBL4092141)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r| Show InChI InChI=1S/C81H111N23O17S2/c1-6-44(2)65-75(117)98-57-41-122-123-42-58(97-68(110)52(25-15-29-87-80(82)83)92-63(106)40-90-67(109)55(37-64(107)108)95-72(114)59-27-17-31-103(59)77(119)56(96-70(57)112)34-47-21-11-8-12-22-47)71(113)100-66(45(3)105)79(121)101(4)61(36-49-39-86-43-91-49)74(116)94-54(33-46-19-9-7-10-20-46)69(111)93-53(26-16-30-88-81(84)85)76(118)102(5)62(35-48-38-89-51-24-14-13-23-50(48)51)78(120)104-32-18-28-60(104)73(115)99-65/h7-14,19-24,38-39,43-45,52-62,65-66,89,105H,6,15-18,25-37,40-42H2,1-5H3,(H,86,91)(H,90,109)(H,92,106)(H,93,111)(H,94,116)(H,95,114)(H,96,112)(H,97,110)(H,98,117)(H,99,115)(H,100,113)(H,107,108)(H4,82,83,87)(H4,84,85,88)/t44-,45+,52-,53-,54+,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-/m0/s1 | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
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Similars
| Article
PubMed
| 3.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253825
((1R,6R,9S,12S,18S,21S,24S,27S,30R,33S,39S,45S,48S,...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C59H91N17O21S4/c1-26(2)15-29-47(84)66-30(17-42(61)78)48(85)69-33(18-43(62)79)57(94)74-12-6-9-39(74)54(91)67-31(19-45(81)82)49(86)73-38(59(96)97)25-101-100-24-37-53(90)70-34(21-77)50(87)68-32(16-27(3)4)56(93)76-14-8-11-41(76)58(95)75-13-7-10-40(75)55(92)72-36(51(88)63-28(5)46(83)65-29)23-99-98-22-35(52(89)71-37)64-44(80)20-60/h26-41,77H,6-25,60H2,1-5H3,(H2,61,78)(H2,62,79)(H,63,88)(H,64,80)(H,65,83)(H,66,84)(H,67,91)(H,68,87)(H,69,85)(H,70,90)(H,71,89)(H,72,92)(H,73,86)(H,81,82)(H,96,97)/t28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50263843
(CHEMBL4098785)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C79H117N23O16S2/c1-10-42(3)61-71(112)94-55-40-120-119-39-54(67(108)97-63(45(6)104)72(113)89-44(5)64(105)92-53(38-103)66(107)96-62(43(4)11-2)77(118)102-32-20-28-58(102)76(117)101-31-19-27-56(101)68(109)95-61)93-65(106)51(25-17-29-85-78(80)81)90-69(110)59(34-47-36-87-50-24-16-15-23-49(47)50)100(9)75(116)57(26-18-30-86-79(82)83)98(7)73(114)52(33-46-21-13-12-14-22-46)91-70(111)60(99(8)74(55)115)35-48-37-84-41-88-48/h12-16,21-24,36-37,41-45,51-63,87,103-104H,10-11,17-20,25-35,38-40H2,1-9H3,(H,84,88)(H,89,113)(H,90,110)(H,91,111)(H,92,105)(H,93,106)(H,94,112)(H,95,109)(H,96,107)(H,97,108)(H4,80,81,85)(H4,82,83,86)/t42-,43-,44-,45-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253823
((1R,4S,10S,16S,19S,22R,27R,30S,33S,36S,39S,46R)-46...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C50H79N15O17S4/c1-22(2)12-25-40(71)57-26(14-36(52)67)41(72)58-27(15-37(53)68)42(73)63-33(50(81)82)21-86-85-20-32-46(77)60-29(17-66)43(74)59-28(13-23(3)4)48(79)65-11-7-9-35(65)49(80)64-10-6-8-34(64)47(78)62-31(44(75)54-24(5)39(70)56-25)19-84-83-18-30(45(76)61-32)55-38(69)16-51/h22-35,66H,6-21,51H2,1-5H3,(H2,52,67)(H2,53,68)(H,54,75)(H,55,69)(H,56,70)(H,57,71)(H,58,72)(H,59,74)(H,60,77)(H,61,76)(H,62,78)(H,63,73)(H,81,82)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50253824
((1R,6R,9S,15S,18S,21S,24S,27R,30S,36S,42S,45S,50R)...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C55H86N16O18S4/c1-25(2)15-28-44(77)62-29(17-40(57)73)45(78)64-31(18-41(58)74)53(86)69-12-6-9-37(69)51(84)68-36(55(88)89)24-93-92-23-35-49(82)65-32(20-72)46(79)63-30(16-26(3)4)52(85)71-14-8-11-39(71)54(87)70-13-7-10-38(70)50(83)67-34(47(80)59-27(5)43(76)61-28)22-91-90-21-33(48(81)66-35)60-42(75)19-56/h25-39,72H,6-24,56H2,1-5H3,(H2,57,73)(H2,58,74)(H,59,80)(H,60,75)(H,61,76)(H,62,77)(H,63,79)(H,64,78)(H,65,82)(H,66,81)(H,67,83)(H,68,84)(H,88,89)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP |
J Med Chem 51: 5575-84 (2008)
Article DOI: 10.1021/jm800278k
BindingDB Entry DOI: 10.7270/Q2MG7PBF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263821
(CHEMBL4080223)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r| Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-75(117)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)54(36-63(106)107)94-72(114)59-26-16-30-102(59)76(118)55(95-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)78(120)101(4)61(35-48-38-85-42-90-48)74(116)93-53(32-45-18-8-6-9-19-45)69(111)92-52(25-15-29-87-80(83)84)68(110)96-56(34-47-37-88-50-23-13-12-22-49(47)50)77(119)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,111)(H,93,116)(H,94,114)(H,95,112)(H,96,110)(H,97,109)(H,98,117)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1 | PDB
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PubMed
| 4.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263820
(CHEMBL4104465)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r| Show InChI InChI=1S/C79H107N23O17S2/c1-4-42(2)63-74(116)98-57-39-120-121-40-58(97-66(108)50(23-13-27-85-78(80)81)90-61(104)38-88-65(107)54(35-62(105)106)93-72(114)59-25-15-29-101(59)76(118)55(95-70(57)112)32-45-19-9-6-10-20-45)71(113)100-64(43(3)103)75(117)94-53(34-47-37-84-41-89-47)69(111)92-52(31-44-17-7-5-8-18-44)68(110)91-51(24-14-28-86-79(82)83)67(109)96-56(33-46-36-87-49-22-12-11-21-48(46)49)77(119)102-30-16-26-60(102)73(115)99-63/h5-12,17-22,36-37,41-43,50-60,63-64,87,103H,4,13-16,23-35,38-40H2,1-3H3,(H,84,89)(H,88,107)(H,90,104)(H,91,110)(H,92,111)(H,93,114)(H,94,117)(H,95,112)(H,96,109)(H,97,108)(H,98,116)(H,99,115)(H,100,113)(H,105,106)(H4,80,81,85)(H4,82,83,86)/t42-,43+,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,63-,64-/m0/s1 | PDB
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PubMed
| 4.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263830
(CHEMBL4064433)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r| Show InChI InChI=1S/C81H111N23O17S2/c1-6-44(2)65-75(117)98-57-41-122-123-42-58(97-68(110)52(25-15-29-87-80(82)83)92-63(106)40-90-67(109)53(37-64(107)108)93-72(114)60-27-17-31-103(60)77(119)55(94-69(57)111)34-47-21-11-8-12-22-47)70(112)100-66(45(3)105)79(121)102(5)62(36-49-39-86-43-91-49)74(116)95-54(33-46-19-9-7-10-20-46)76(118)101(4)59(26-16-30-88-81(84)85)71(113)96-56(35-48-38-89-51-24-14-13-23-50(48)51)78(120)104-32-18-28-61(104)73(115)99-65/h7-14,19-24,38-39,43-45,52-62,65-66,89,105H,6,15-18,25-37,40-42H2,1-5H3,(H,86,91)(H,90,109)(H,92,106)(H,93,114)(H,94,111)(H,95,116)(H,96,113)(H,97,110)(H,98,117)(H,99,115)(H,100,112)(H,107,108)(H4,82,83,87)(H4,84,85,88)/t44-,45+,52-,53-,54+,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-/m0/s1 | PDB
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| Article
PubMed
| 6.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263821
(CHEMBL4080223)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r| Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-75(117)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)54(36-63(106)107)94-72(114)59-26-16-30-102(59)76(118)55(95-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)78(120)101(4)61(35-48-38-85-42-90-48)74(116)93-53(32-45-18-8-6-9-19-45)69(111)92-52(25-15-29-87-80(83)84)68(110)96-56(34-47-37-88-50-23-13-12-22-49(47)50)77(119)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,111)(H,93,116)(H,94,114)(H,95,112)(H,96,110)(H,97,109)(H,98,117)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1 | PDB
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PubMed
| 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263815
(CHEMBL4074479)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C78H115N23O16S2/c1-9-41(3)60-71(112)94-55-39-119-118-38-54(67(108)97-62(44(6)103)72(113)88-43(5)63(104)92-53(37-102)66(107)96-61(42(4)10-2)76(117)101-31-19-27-58(101)75(116)100-30-18-26-57(100)69(110)95-60)93-64(105)50(24-16-28-84-77(79)80)89-65(106)51(33-46-35-86-49-23-15-14-22-48(46)49)90-68(109)56(25-17-29-85-78(81)82)98(7)73(114)52(32-45-20-12-11-13-21-45)91-70(111)59(99(8)74(55)115)34-47-36-83-40-87-47/h11-15,20-23,35-36,40-44,50-62,86,102-103H,9-10,16-19,24-34,37-39H2,1-8H3,(H,83,87)(H,88,113)(H,89,106)(H,90,109)(H,91,111)(H,92,104)(H,93,105)(H,94,112)(H,95,110)(H,96,107)(H,97,108)(H4,79,80,84)(H4,81,82,85)/t41-,42-,43-,44-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1 | PDB
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PubMed
| 7.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50263841
(CHEMBL4084765)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C77H113N23O16S2/c1-8-40(3)59-71(112)94-54-37-117-118-38-55(68(109)97-61(43(6)102)72(113)87-42(5)62(103)92-53(36-101)66(107)96-60(41(4)9-2)75(116)100-30-18-26-58(100)74(115)99-29-17-25-57(99)70(111)95-59)93-63(104)49(23-15-27-83-76(78)79)88-64(105)50(32-45-34-85-48-22-14-13-21-47(45)48)90-69(110)56(24-16-28-84-77(80)81)98(7)73(114)52(31-44-19-11-10-12-20-44)91-65(106)51(89-67(54)108)33-46-35-82-39-86-46/h10-14,19-22,34-35,39-43,49-61,85,101-102H,8-9,15-18,23-33,36-38H2,1-7H3,(H,82,86)(H,87,113)(H,88,105)(H,89,108)(H,90,110)(H,91,106)(H,92,103)(H,93,104)(H,94,112)(H,95,111)(H,96,107)(H,97,109)(H4,78,79,83)(H4,80,81,84)/t40-,41-,42-,43-,49-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1 | PDB
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PC sid
UniChem
| Article
PubMed
| 7.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
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