Found 397 hits of ic50 data for polymerid = 50002313,6547 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)) | BDBM50250586
(CHEMBL4093140)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)CN[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)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C78H113N21O18/c1-5-6-19-54(93-75(115)62(42-101)97-73(113)59(34-47-24-27-51(103)28-25-47)95-74(114)61(41-100)89-45(4)102)69(109)90-49(26-29-65(105)106)39-86-57(36-50-38-83-43-88-50)71(111)94-58(33-46-16-8-7-9-17-46)72(112)92-55(22-14-31-84-78(81)82)70(110)96-60(35-48-37-85-53-20-11-10-18-52(48)53)68(108)87-40-64(104)91-56(21-12-13-30-79)77(117)99-32-15-23-63(99)76(116)98-66(44(2)3)67(80)107/h7-11,16-18,20,24-25,27-28,37-38,43-44,49,54-63,66,85-86,100-101,103H,5-6,12-15,19,21-23,26,29-36,39-42,79H2,1-4H3,(H2,80,107)(H,83,88)(H,87,108)(H,89,102)(H,90,109)(H,91,104)(H,92,112)(H,93,115)(H,94,111)(H,95,114)(H,96,110)(H,97,113)(H,98,116)(H,105,106)(H4,81,82,84)/t49-,54-,55-,56-,57-,58+,59-,60-,61-,62-,63-,66-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method |
J Med Chem 60: 9320-9329 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50223719
(CHEMBL3348530)Show SMILES CCCC[C@H](N)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](Cc2c[nH]cn2)NC1=O)C(O)=O |wU:22.22,58.61,36.38,4.3,wD:9.8,18.72,47.49,(-2.84,-13.67,;-1.44,-13.06,;-.19,-13.98,;1.22,-13.36,;2.45,-14.28,;2.29,-15.82,;3.87,-13.67,;5.11,-14.58,;4.05,-12.14,;5.46,-11.52,;6.26,-12.84,;7.39,-13.9,;6.5,-15.16,;8.75,-14.6,;10.25,-14.91,;11.79,-14.81,;13.26,-14.29,;14.51,-13.41,;15.48,-12.21,;16.1,-10.8,;16.3,-9.27,;17.84,-9.27,;16.1,-7.75,;17.58,-7.33,;18.66,-6.24,;18.4,-4.7,;19.77,-3.99,;20.87,-5.08,;22.4,-4.98,;23.27,-6.26,;22.57,-7.64,;21.03,-7.74,;20.17,-6.46,;15.48,-6.34,;14.51,-5.13,;15.56,-4.01,;13.26,-4.25,;13.95,-2.87,;15.49,-2.82,;16.21,-1.44,;17.75,-1.37,;18.45,-.01,;19.98,.06,;17.62,1.3,;11.79,-3.73,;10.25,-3.63,;10.16,-2.1,;8.75,-3.94,;8.23,-2.49,;9.23,-1.31,;10.76,-1.59,;11.76,-.43,;11.23,1.02,;9.72,1.3,;8.72,.13,;7.39,-4.66,;6.26,-5.7,;5.06,-4.73,;5.46,-7.02,;4.05,-6.4,;3.87,-4.87,;5.01,-3.84,;4.36,-2.43,;2.84,-2.61,;2.54,-4.11,;5.04,-8.51,;5.04,-10.04,;3.52,-10.25,;16.79,-13.01,;18.14,-12.28,;16.76,-14.55,)| Show InChI InChI=1S/C48H66N14O9/c1-2-3-15-32(49)41(64)59-39-24-40(63)53-19-10-9-17-35(47(70)71)58-44(67)37(22-29-25-55-33-16-8-7-14-31(29)33)61-42(65)34(18-11-20-54-48(50)51)57-43(66)36(21-28-12-5-4-6-13-28)60-45(68)38(62-46(39)69)23-30-26-52-27-56-30/h4-8,12-14,16,25-27,32,34-39,55H,2-3,9-11,15,17-24,49H2,1H3,(H,52,56)(H,53,63)(H,57,66)(H,58,67)(H,59,64)(H,60,68)(H,61,65)(H,62,69)(H,70,71)(H4,50,51,54)/t32-,34-,35-,36+,37-,38-,39-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Intracellular level of cAMP in cells expressing the melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50134946
(CHEMBL2370964 | H-Tyr-Val-Nle-Gly-His-D-Nal(2')-Ar...)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |wU:68.72,8.22,90.96,wD:82.88,32.33,42.44,101.107,12.13,57.61,4.3,(2.47,-9.76,;1.17,-9.01,;1.19,-7.5,;-.16,-6.75,;-.14,-5.24,;-1.49,-4.47,;-2.84,-5.23,;-2.85,-6.73,;-4.17,-4.45,;-5.53,-5.2,;-6.86,-4.44,;-6.86,-2.92,;-8.22,-5.18,;-9.55,-4.42,;-8.24,-6.7,;-6.9,-7.44,;-5.56,-6.71,;-4.2,-7.47,;-4.23,-8.99,;-2.87,-9.75,;-5.57,-9.73,;-6.91,-8.97,;-4.17,-2.95,;-5.5,-2.19,;-2.82,-2.2,;1.2,-4.49,;1.22,-2.98,;2.54,-5.26,;3.9,-4.5,;5.23,-5.27,;5.21,-6.79,;6.58,-4.52,;7.92,-5.29,;7.92,-6.79,;9.25,-7.55,;10.69,-6.96,;11.71,-8.09,;10.92,-9.39,;9.41,-9.05,;9.28,-4.55,;9.3,-3.03,;10.61,-5.31,;11.96,-4.56,;11.96,-3.02,;11.17,-1.68,;9.62,-1.68,;8.85,-.34,;9.62,1.02,;8.85,2.36,;9.61,3.72,;11.17,3.72,;11.95,2.36,;11.17,1.02,;11.95,-.32,;13.31,-5.32,;13.29,-6.82,;14.65,-4.56,;15.99,-5.32,;15.98,-6.85,;17.32,-7.61,;17.3,-9.11,;18.65,-9.89,;18.63,-11.4,;19.98,-12.15,;17.29,-12.13,;17.35,-4.59,;17.36,-3.08,;18.69,-5.35,;20.05,-4.61,;20.05,-3.09,;21.4,-2.35,;22.81,-2.98,;23.86,-1.85,;23.1,-.55,;23.58,.89,;22.56,2.03,;21.03,1.71,;20.53,.28,;21.57,-.85,;21.37,-5.37,;21.37,-6.88,;22.73,-4.62,;24.06,-5.4,;24.06,-6.9,;25.41,-7.67,;26.74,-6.9,;25.39,-9.17,;25.41,-4.64,;25.43,-3.14,;26.76,-5.4,;28.12,-4.66,;28.13,-3.15,;29.48,-2.4,;29.48,-.89,;30.83,-.15,;30.84,1.36,;32.2,2.11,;29.51,2.12,;29.46,-5.43,;29.45,-6.93,;30.8,-4.67,;32.14,-5.44,;32.13,-6.95,;33.47,-7.71,;34.83,-6.96,;36.17,-7.72,;36.15,-9.24,;34.8,-9.99,;33.47,-9.22,;33.5,-4.69,;33.5,-3.19,;34.83,-5.46,;36.18,-4.72,;37.53,-5.48,;38.89,-4.73,;37.51,-6.99,)| Show InChI InChI=1S/C79H104N22O15/c1-4-5-20-56(96-77(116)67(44(2)3)101-68(107)54(80)33-46-25-28-52(102)29-26-46)69(108)91-42-65(104)93-62(37-51-40-86-43-92-51)75(114)98-60(35-47-24-27-48-17-9-10-18-49(48)32-47)73(112)94-58(23-14-31-88-79(84)85)72(111)99-61(36-50-39-89-55-21-12-11-19-53(50)55)74(113)100-63(38-66(105)106)76(115)95-57(22-13-30-87-78(82)83)71(110)97-59(70(109)90-41-64(81)103)34-45-15-7-6-8-16-45/h6-12,15-19,21,24-29,32,39-40,43-44,54,56-63,67,89,102H,4-5,13-14,20,22-23,30-31,33-38,41-42,80H2,1-3H3,(H2,81,103)(H,86,92)(H,90,109)(H,91,108)(H,93,104)(H,94,112)(H,95,115)(H,96,116)(H,97,110)(H,98,114)(H,99,111)(H,100,113)(H,101,107)(H,105,106)(H4,82,83,87)(H4,84,85,88)/t54-,56-,57-,58-,59-,60?,61-,62-,63-,67-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0740 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01295
BindingDB Entry DOI: 10.7270/Q2GX4GPJ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50134946
(CHEMBL2370964 | H-Tyr-Val-Nle-Gly-His-D-Nal(2')-Ar...)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |wU:68.72,8.22,90.96,wD:82.88,32.33,42.44,101.107,12.13,57.61,4.3,(2.47,-9.76,;1.17,-9.01,;1.19,-7.5,;-.16,-6.75,;-.14,-5.24,;-1.49,-4.47,;-2.84,-5.23,;-2.85,-6.73,;-4.17,-4.45,;-5.53,-5.2,;-6.86,-4.44,;-6.86,-2.92,;-8.22,-5.18,;-9.55,-4.42,;-8.24,-6.7,;-6.9,-7.44,;-5.56,-6.71,;-4.2,-7.47,;-4.23,-8.99,;-2.87,-9.75,;-5.57,-9.73,;-6.91,-8.97,;-4.17,-2.95,;-5.5,-2.19,;-2.82,-2.2,;1.2,-4.49,;1.22,-2.98,;2.54,-5.26,;3.9,-4.5,;5.23,-5.27,;5.21,-6.79,;6.58,-4.52,;7.92,-5.29,;7.92,-6.79,;9.25,-7.55,;10.69,-6.96,;11.71,-8.09,;10.92,-9.39,;9.41,-9.05,;9.28,-4.55,;9.3,-3.03,;10.61,-5.31,;11.96,-4.56,;11.96,-3.02,;11.17,-1.68,;9.62,-1.68,;8.85,-.34,;9.62,1.02,;8.85,2.36,;9.61,3.72,;11.17,3.72,;11.95,2.36,;11.17,1.02,;11.95,-.32,;13.31,-5.32,;13.29,-6.82,;14.65,-4.56,;15.99,-5.32,;15.98,-6.85,;17.32,-7.61,;17.3,-9.11,;18.65,-9.89,;18.63,-11.4,;19.98,-12.15,;17.29,-12.13,;17.35,-4.59,;17.36,-3.08,;18.69,-5.35,;20.05,-4.61,;20.05,-3.09,;21.4,-2.35,;22.81,-2.98,;23.86,-1.85,;23.1,-.55,;23.58,.89,;22.56,2.03,;21.03,1.71,;20.53,.28,;21.57,-.85,;21.37,-5.37,;21.37,-6.88,;22.73,-4.62,;24.06,-5.4,;24.06,-6.9,;25.41,-7.67,;26.74,-6.9,;25.39,-9.17,;25.41,-4.64,;25.43,-3.14,;26.76,-5.4,;28.12,-4.66,;28.13,-3.15,;29.48,-2.4,;29.48,-.89,;30.83,-.15,;30.84,1.36,;32.2,2.11,;29.51,2.12,;29.46,-5.43,;29.45,-6.93,;30.8,-4.67,;32.14,-5.44,;32.13,-6.95,;33.47,-7.71,;34.83,-6.96,;36.17,-7.72,;36.15,-9.24,;34.8,-9.99,;33.47,-9.22,;33.5,-4.69,;33.5,-3.19,;34.83,-5.46,;36.18,-4.72,;37.53,-5.48,;38.89,-4.73,;37.51,-6.99,)| Show InChI InChI=1S/C79H104N22O15/c1-4-5-20-56(96-77(116)67(44(2)3)101-68(107)54(80)33-46-25-28-52(102)29-26-46)69(108)91-42-65(104)93-62(37-51-40-86-43-92-51)75(114)98-60(35-47-24-27-48-17-9-10-18-49(48)32-47)73(112)94-58(23-14-31-88-79(84)85)72(111)99-61(36-50-39-89-55-21-12-11-19-53(50)55)74(113)100-63(38-66(105)106)76(115)95-57(22-13-30-87-78(82)83)71(110)97-59(70(109)90-41-64(81)103)34-45-15-7-6-8-16-45/h6-12,15-19,21,24-29,32,39-40,43-44,54,56-63,67,89,102H,4-5,13-14,20,22-23,30-31,33-38,41-42,80H2,1-3H3,(H2,81,103)(H,86,92)(H,90,109)(H,91,108)(H,93,104)(H,94,112)(H,95,115)(H,96,116)(H,97,110)(H,98,114)(H,99,111)(H,100,113)(H,101,107)(H,105,106)(H4,82,83,87)(H4,84,85,88)/t54-,56-,57-,58-,59-,60?,61-,62-,63-,67-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0741 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01295
BindingDB Entry DOI: 10.7270/Q2GX4GPJ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)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(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC1R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5462-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50211392
(Ac-Nle4-cyclo(Asp5-Pro6-D-4,4'-Bip7-Pro8-Trp9-Lys1...)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@]1([H])CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O Show InChI InChI=1S/C54H68N10O9/c1-3-4-17-41(58-33(2)65)49(68)61-44-31-47(66)56-26-11-10-19-40(48(55)67)59-50(69)42(30-37-32-57-39-18-9-8-16-38(37)39)60-51(70)45-20-12-27-63(45)53(72)43(62-52(71)46-21-13-28-64(46)54(44)73)29-34-22-24-36(25-23-34)35-14-6-5-7-15-35/h5-9,14-16,18,22-25,32,40-46,57H,3-4,10-13,17,19-21,26-31H2,1-2H3,(H2,55,67)(H,56,66)(H,58,65)(H,59,69)(H,60,70)(H,61,68)(H,62,71)/t40?,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human cloned melanocortin receptor 1b expressed in CHO cells |
J Med Chem 50: 2520-6 (2007)
Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50163144
(CHEMBL414778 | H-Tyr-Val-Nle-Gly-His-D-Nal(2'')-Ar...)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON Show InChI InChI=1S/C77H103N21O16/c1-4-5-22-54(93-75(113)65(44(2)3)98-66(104)53(78)34-47-26-29-52(99)30-27-47)67(105)87-41-62(100)90-60(38-51-40-84-43-89-51)73(111)96-59(37-48-25-28-49-20-12-13-21-50(49)33-48)71(109)91-56(24-15-32-86-77(81)82)70(108)95-58(36-46-18-10-7-11-19-46)72(110)97-61(39-63(101)102)74(112)92-55(23-14-31-85-76(79)80)69(107)94-57(35-45-16-8-6-9-17-45)68(106)88-42-64(103)114-83/h6-13,16-21,25-30,33,40,43-44,53-61,65,99H,4-5,14-15,22-24,31-32,34-39,41-42,78,83H2,1-3H3,(H,84,89)(H,87,105)(H,88,106)(H,90,100)(H,91,109)(H,92,112)(H,93,113)(H,94,107)(H,95,108)(H,96,111)(H,97,110)(H,98,104)(H,101,102)(H4,79,80,85)(H4,81,82,86)/t53-,54-,55-,56-,57-,58-,59+,60-,61-,65-/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4) |
J Med Chem 48: 1839-48 (2005)
Article DOI: 10.1021/jm049579s
BindingDB Entry DOI: 10.7270/Q2XD12F5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50115293
(CHEMBL436773 | DOTA-ReCCEHdFRWCKPV-OH)Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(O)=O Show InChI InChI=1S/C75H110N24O21S3.O.Re/c1-41(2)59(73(119)120)92-65(114)53-17-10-22-99(53)72(118)49(16-9-21-82-75(78)79)87-67(116)70(122)93-64(113)51(32-43-34-83-46-14-7-6-13-45(43)46)89-60(109)47(15-8-20-81-74(76)77)85-62(111)50(31-42-11-4-3-5-12-42)88-63(112)52(33-44-35-80-40-84-44)90-61(110)48(18-19-55(101)102)86-66(115)71(123)94-68(117)69(121)91-54(100)36-95-23-25-96(37-56(103)104)27-29-98(39-58(107)108)30-28-97(26-24-95)38-57(105)106;;/h3-7,11-14,34-35,40-41,47-53,59,69-71,83H,8-10,15-33,36-39H2,1-2H3,(H27,76,77,78,79,80,81,82,84,85,86,87,88,89,90,91,92,93,94,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,119,120,121,122,123);;/q;-1;+3/p-4/t47?,48?,49?,50-,51?,52?,53?,59?,69?,70?,71?;;/m0../s1 | KEGG
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University of Missouri-Columbia
Curated by ChEMBL
| Assay Description
In vitro binding affinity for the melanoma receptor was determined in the murine melanoma B16/F1 cell line |
J Med Chem 45: 3048-56 (2002)
BindingDB Entry DOI: 10.7270/Q2WQ034Z |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50205745
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)Show SMILES CCCC[C@H](N)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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:36.38,9.8,62.66,wD:47.49,22.22,18.77,4.4,(-.77,-36.46,;.71,-36.07,;1.11,-34.58,;2.6,-34.18,;3,-32.7,;1.91,-31.61,;4.49,-32.3,;5.58,-33.39,;4.89,-30.81,;6.38,-30.41,;5.98,-31.9,;7.27,-32.74,;7.34,-34.28,;8.46,-31.78,;7.92,-30.34,;8.73,-29.1,;10.3,-29.11,;11.1,-27.78,;12.65,-27.81,;13.44,-26.45,;12.68,-25.09,;13.46,-23.77,;11.14,-25.08,;11.89,-23.74,;12.98,-22.65,;14.51,-22.87,;15.21,-21.49,;14.11,-20.41,;14.19,-18.88,;12.9,-18.04,;11.52,-18.75,;11.45,-20.28,;12.74,-21.11,;10.39,-23.81,;8.85,-23.8,;8.08,-25.12,;8.09,-22.46,;8.86,-21.13,;8.09,-19.79,;8.86,-18.46,;8.09,-17.13,;8.86,-15.8,;8.09,-14.46,;10.41,-15.8,;6.54,-22.46,;5.75,-23.79,;6.5,-25.12,;4.21,-23.77,;3.46,-22.43,;1.92,-22.41,;1.15,-23.73,;-.39,-23.71,;-1.15,-22.36,;-2.67,-22.35,;-3.43,-21.03,;-2.66,-19.7,;-1.12,-19.71,;-.37,-21.04,;1.18,-21.06,;3.25,-24.96,;3.99,-26.33,;5.7,-26.45,;3.37,-27.76,;1.83,-27.84,;.73,-28.93,;.96,-30.46,;-.42,-31.16,;-1.51,-30.06,;-.8,-28.68,;4.12,-29.09,;5.6,-29.05,;6.36,-27.71,;13.4,-29.16,;12.61,-30.47,;14.93,-29.18,)| Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1 | PDB
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Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC1R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)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(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alphaMSH from human MC1 receptor expressed in HEK293 cells |
J Med Chem 49: 6888-96 (2006)
Article DOI: 10.1021/jm060768f
BindingDB Entry DOI: 10.7270/Q2RR1XW7 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)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(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC1R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)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(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level |
J Med Chem 52: 3627-35 (2009)
Article DOI: 10.1021/jm801300c
BindingDB Entry DOI: 10.7270/Q2D21ZJ5 |
More data for this
Ligand-Target Pair | |
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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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC1 receptor expressed in HEK293 cells |
J Med Chem 51: 187-95 (2008)
Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50354719
(CHEMBL1834391)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:26.27,8.10,4.4,74.76,92.96,108.113,wD:14.23,33.33,42.42,52.53,63.65,104.110,(10.67,7.94,;10.68,6.4,;9.35,5.63,;9.35,4.09,;8.01,3.31,;6.68,4.09,;5.35,3.31,;5.35,1.78,;4.01,4.09,;4.01,5.63,;5.35,6.4,;2.68,3.31,;1.35,4.09,;1.35,5.63,;.01,3.31,;.01,1.78,;1.35,1,;2.67,1.77,;4,1.01,;4,-.54,;5.33,-1.31,;2.67,-1.31,;1.35,-.53,;-1.32,4.09,;-2.66,3.31,;-2.66,1.78,;-3.99,4.09,;-5.32,3.31,;-3.99,5.63,;-5.32,6.4,;8.01,1.78,;6.68,1,;9.35,1,;9.35,-.53,;8.01,-1.31,;8.01,-2.84,;6.68,-3.62,;5.35,-2.84,;6.68,-5.15,;10.68,-1.31,;12.02,-.53,;10.68,-2.84,;12.02,-3.62,;12.02,-5.15,;10.68,-5.93,;10.52,-7.46,;9.02,-7.78,;8.25,-6.45,;9.28,-5.3,;13.35,-2.84,;13.35,-1.31,;14.68,-3.62,;16.02,-2.84,;16.02,-1.31,;17.36,-.53,;18.68,-1.3,;20.02,-.53,;20.02,1,;18.68,1.78,;17.36,1,;17.36,-3.62,;17.36,-5.15,;18.69,-2.84,;20.02,-3.62,;20.02,-5.15,;21.35,-5.93,;21.35,-7.46,;22.69,-8.24,;22.69,-9.77,;21.35,-10.55,;24.02,-10.55,;21.35,-2.84,;21.35,-1.31,;22.69,-3.62,;24.02,-2.84,;24.02,-1.31,;25.36,-.53,;26.76,-1.16,;27.79,-.02,;27.03,1.32,;27.5,2.78,;26.48,3.93,;24.97,3.61,;24.49,2.15,;25.52,1,;25.36,-3.62,;25.36,-5.15,;26.7,-2.84,;28.03,-3.62,;29.36,-2.84,;29.36,-1.31,;30.69,-3.62,;32.03,-2.84,;32.03,-1.31,;30.69,-.53,;30.69,1,;32.03,1.78,;32.03,3.31,;33.37,-3.62,;34.7,-2.84,;33.37,-5.15,;32.11,-6.07,;32.59,-7.53,;34.13,-7.53,;34.61,-6.06,;35.91,-5.24,;35.92,-3.7,;37.24,-6.01,;38.58,-5.25,;38.58,-3.72,;39.92,-2.96,;37.26,-2.94,;39.9,-6.04,;39.89,-7.58,;41.24,-5.28,)| Show InChI InChI=1S/C76H109N21O18/c1-4-5-18-51(89-73(113)59(40-99)95-71(111)55(91-65(105)49(78)39-98)33-44-23-25-47(100)26-24-44)67(107)90-53(27-28-62(102)103)69(109)94-58(35-46-37-82-41-86-46)72(112)92-56(32-43-15-7-6-8-16-43)70(110)88-52(21-13-30-83-76(80)81)68(108)93-57(34-45-36-84-50-19-10-9-17-48(45)50)66(106)85-38-61(101)87-54(20-11-12-29-77)75(115)97-31-14-22-60(97)74(114)96-63(42(2)3)64(79)104/h6-10,15-17,19,23-26,36-37,41-42,49,51-60,63,84,98-100H,4-5,11-14,18,20-22,27-35,38-40,77-78H2,1-3H3,(H2,79,104)(H,82,86)(H,85,106)(H,87,101)(H,88,110)(H,89,113)(H,90,107)(H,91,105)(H,92,112)(H,93,108)(H,94,109)(H,95,111)(H,96,114)(H,102,103)(H4,80,81,83)/t49-,51-,52-,53-,54-,55-,56+,57-,58-,59-,60-,63-/m0/s1 | KEGG
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| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting |
Bioorg Med Chem Lett 21: 5757-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.017
BindingDB Entry DOI: 10.7270/Q2H132DZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)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(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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University of Michigan Medical Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human Melanocortin 1 receptor (hMC1R) |
J Med Chem 40: 1738-48 (1997)
Article DOI: 10.1021/jm960845e
BindingDB Entry DOI: 10.7270/Q29K4BWK |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50354718
(CHEMBL1834392)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCN=[N+]=[N-])C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:26.29,8.10,4.4,83.85,101.105,117.122,wD:14.23,42.42,51.51,61.62,72.74,113.119,(18.25,-8.83,;18.25,-10.37,;16.92,-11.14,;16.92,-12.68,;15.59,-13.46,;14.26,-12.68,;12.92,-13.46,;12.92,-14.99,;11.58,-12.68,;11.58,-11.14,;12.92,-10.37,;10.25,-13.46,;8.92,-12.68,;8.92,-11.14,;7.58,-13.46,;7.58,-14.99,;8.92,-15.77,;10.25,-15,;11.57,-15.76,;11.57,-17.31,;12.9,-18.08,;10.24,-18.08,;8.92,-17.3,;6.25,-12.68,;4.91,-13.46,;4.91,-14.99,;3.58,-12.68,;3.58,-11.14,;2.25,-10.37,;2.25,-13.46,;.91,-12.69,;-.41,-13.46,;-1.75,-12.7,;-3.08,-13.47,;-4.4,-12.71,;-5.73,-13.48,;-7.06,-12.72,;-8.6,-12.71,;-10.14,-12.7,;15.59,-14.99,;14.26,-15.77,;16.92,-15.77,;16.92,-17.3,;15.59,-18.08,;15.59,-19.61,;14.26,-20.39,;12.92,-19.61,;14.26,-21.93,;18.25,-18.08,;19.59,-17.3,;18.25,-19.61,;19.59,-20.39,;19.59,-21.93,;18.25,-22.7,;18.1,-24.23,;16.59,-24.55,;15.82,-23.22,;16.86,-22.07,;20.93,-19.61,;20.93,-18.08,;22.26,-20.39,;23.59,-19.61,;23.59,-18.08,;24.93,-17.3,;26.26,-18.08,;27.59,-17.3,;27.59,-15.77,;26.26,-14.99,;24.93,-15.77,;24.93,-20.39,;24.93,-21.93,;26.27,-19.61,;27.6,-20.39,;27.6,-21.93,;28.93,-22.7,;28.93,-24.24,;30.27,-25.01,;30.27,-26.55,;28.93,-27.33,;31.6,-27.33,;28.93,-19.61,;28.93,-18.08,;30.27,-20.39,;31.6,-19.61,;31.6,-18.08,;32.94,-17.3,;34.34,-17.93,;35.38,-16.79,;34.61,-15.45,;35.09,-13.99,;34.06,-12.84,;32.55,-13.16,;32.07,-14.62,;33.1,-15.77,;32.94,-20.39,;32.94,-21.93,;34.28,-19.61,;35.61,-20.39,;36.94,-19.61,;36.94,-18.08,;38.28,-20.39,;39.61,-19.61,;39.61,-18.08,;38.28,-17.3,;38.28,-15.77,;39.61,-14.99,;39.61,-13.46,;40.95,-20.39,;42.28,-19.61,;40.95,-21.93,;39.7,-22.84,;40.17,-24.3,;41.71,-24.3,;42.2,-22.84,;43.49,-22.01,;43.5,-20.47,;44.82,-22.79,;46.16,-22.03,;46.17,-20.49,;47.51,-19.73,;44.84,-19.71,;47.49,-22.81,;47.47,-24.35,;48.83,-22.05,)| Show InChI InChI=1S/C82H120N24O18/c1-4-5-22-56(97-79(122)65(46-108)103-76(119)61(39-50-27-29-53(109)30-28-50)100-78(121)64(45-107)89-34-15-6-7-16-36-94-105-87)72(115)98-58(31-32-68(111)112)74(117)102-63(41-52-43-88-47-93-52)77(120)99-60(38-49-19-9-8-10-20-49)75(118)96-57(25-17-35-90-82(85)86)73(116)101-62(40-51-42-91-55-23-12-11-21-54(51)55)71(114)92-44-67(110)95-59(24-13-14-33-83)81(124)106-37-18-26-66(106)80(123)104-69(48(2)3)70(84)113/h8-12,19-21,23,27-30,42-43,47-48,56-66,69,89,91,107-109H,4-7,13-18,22,24-26,31-41,44-46,83H2,1-3H3,(H2,84,113)(H,88,93)(H,92,114)(H,95,110)(H,96,118)(H,97,122)(H,98,115)(H,99,120)(H,100,121)(H,101,116)(H,102,117)(H,103,119)(H,104,123)(H,111,112)(H4,85,86,90)/t56-,57-,58-,59-,60+,61-,62-,63-,64-,65-,66-,69-/m0/s1 | KEGG
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| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting |
Bioorg Med Chem Lett 21: 5757-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.017
BindingDB Entry DOI: 10.7270/Q2H132DZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50017181
(CHEMBL441738)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=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)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | KEGG
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| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 1 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting me... |
J Med Chem 63: 2194-2208 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00860
BindingDB Entry DOI: 10.7270/Q25142KG |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50134946
(CHEMBL2370964 | H-Tyr-Val-Nle-Gly-His-D-Nal(2')-Ar...)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |wU:68.72,8.22,90.96,wD:82.88,32.33,42.44,101.107,12.13,57.61,4.3,(2.47,-9.76,;1.17,-9.01,;1.19,-7.5,;-.16,-6.75,;-.14,-5.24,;-1.49,-4.47,;-2.84,-5.23,;-2.85,-6.73,;-4.17,-4.45,;-5.53,-5.2,;-6.86,-4.44,;-6.86,-2.92,;-8.22,-5.18,;-9.55,-4.42,;-8.24,-6.7,;-6.9,-7.44,;-5.56,-6.71,;-4.2,-7.47,;-4.23,-8.99,;-2.87,-9.75,;-5.57,-9.73,;-6.91,-8.97,;-4.17,-2.95,;-5.5,-2.19,;-2.82,-2.2,;1.2,-4.49,;1.22,-2.98,;2.54,-5.26,;3.9,-4.5,;5.23,-5.27,;5.21,-6.79,;6.58,-4.52,;7.92,-5.29,;7.92,-6.79,;9.25,-7.55,;10.69,-6.96,;11.71,-8.09,;10.92,-9.39,;9.41,-9.05,;9.28,-4.55,;9.3,-3.03,;10.61,-5.31,;11.96,-4.56,;11.96,-3.02,;11.17,-1.68,;9.62,-1.68,;8.85,-.34,;9.62,1.02,;8.85,2.36,;9.61,3.72,;11.17,3.72,;11.95,2.36,;11.17,1.02,;11.95,-.32,;13.31,-5.32,;13.29,-6.82,;14.65,-4.56,;15.99,-5.32,;15.98,-6.85,;17.32,-7.61,;17.3,-9.11,;18.65,-9.89,;18.63,-11.4,;19.98,-12.15,;17.29,-12.13,;17.35,-4.59,;17.36,-3.08,;18.69,-5.35,;20.05,-4.61,;20.05,-3.09,;21.4,-2.35,;22.81,-2.98,;23.86,-1.85,;23.1,-.55,;23.58,.89,;22.56,2.03,;21.03,1.71,;20.53,.28,;21.57,-.85,;21.37,-5.37,;21.37,-6.88,;22.73,-4.62,;24.06,-5.4,;24.06,-6.9,;25.41,-7.67,;26.74,-6.9,;25.39,-9.17,;25.41,-4.64,;25.43,-3.14,;26.76,-5.4,;28.12,-4.66,;28.13,-3.15,;29.48,-2.4,;29.48,-.89,;30.83,-.15,;30.84,1.36,;32.2,2.11,;29.51,2.12,;29.46,-5.43,;29.45,-6.93,;30.8,-4.67,;32.14,-5.44,;32.13,-6.95,;33.47,-7.71,;34.83,-6.96,;36.17,-7.72,;36.15,-9.24,;34.8,-9.99,;33.47,-9.22,;33.5,-4.69,;33.5,-3.19,;34.83,-5.46,;36.18,-4.72,;37.53,-5.48,;38.89,-4.73,;37.51,-6.99,)| Show InChI InChI=1S/C79H104N22O15/c1-4-5-20-56(96-77(116)67(44(2)3)101-68(107)54(80)33-46-25-28-52(102)29-26-46)69(108)91-42-65(104)93-62(37-51-40-86-43-92-51)75(114)98-60(35-47-24-27-48-17-9-10-18-49(48)32-47)73(112)94-58(23-14-31-88-79(84)85)72(111)99-61(36-50-39-89-55-21-12-11-19-53(50)55)74(113)100-63(38-66(105)106)76(115)95-57(22-13-30-87-78(82)83)71(110)97-59(70(109)90-41-64(81)103)34-45-15-7-6-8-16-45/h6-12,15-19,21,24-29,32,39-40,43-44,54,56-63,67,89,102H,4-5,13-14,20,22-23,30-31,33-38,41-42,80H2,1-3H3,(H2,81,103)(H,86,92)(H,90,109)(H,91,108)(H,93,104)(H,94,112)(H,95,115)(H,96,116)(H,97,110)(H,98,114)(H,99,111)(H,100,113)(H,101,107)(H,105,106)(H4,82,83,87)(H4,84,85,88)/t54-,56-,57-,58-,59-,60?,61-,62-,63-,67-/m0/s1 | PDB
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method |
J Med Chem 60: 9320-9329 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50163145
(CHEMBL413439 | H-Tyr-Val-Nle-Gly-His-D-Nal(2'')-Ar...)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O Show InChI InChI=1S/C79H103N21O16/c1-4-5-20-56(95-77(116)67(44(2)3)100-68(107)54(80)33-46-25-28-52(101)29-26-46)69(108)89-41-64(102)92-62(37-51-40-85-43-91-51)75(114)97-60(35-47-24-27-48-17-9-10-18-49(48)32-47)73(112)93-58(23-14-31-87-79(83)84)72(111)98-61(36-50-39-88-55-21-12-11-19-53(50)55)74(113)99-63(38-65(103)104)76(115)94-57(22-13-30-86-78(81)82)71(110)96-59(70(109)90-42-66(105)106)34-45-15-7-6-8-16-45/h6-12,15-19,21,24-29,32,39-40,43-44,54,56-63,67,88,101H,4-5,13-14,20,22-23,30-31,33-38,41-42,80H2,1-3H3,(H,85,91)(H,89,108)(H,90,109)(H,92,102)(H,93,112)(H,94,115)(H,95,116)(H,96,110)(H,97,114)(H,98,111)(H,99,113)(H,100,107)(H,103,104)(H,105,106)(H4,81,82,86)(H4,83,84,87)/t54-,56-,57-,58-,59-,60+,61-,62-,63-,67-/m0/s1 | PDB
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4) |
J Med Chem 48: 1839-48 (2005)
Article DOI: 10.1021/jm049579s
BindingDB Entry DOI: 10.7270/Q2XD12F5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50017181
(CHEMBL441738)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=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)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | KEGG
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| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis |
J Med Chem 59: 3112-28 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01894
BindingDB Entry DOI: 10.7270/Q2R2139S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50454555
(CHEMBL2115441)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |wU:30.30,66.69,4.4,44.46,25.25,wD:12.11,21.80,55.57,(-3.6,-3.27,;-2.8,-4.62,;-3.51,-6.01,;-2.66,-7.31,;-3.24,-8.75,;-4.77,-8.95,;-5.17,-10.44,;-6.68,-10.84,;-4.09,-11.55,;-2.3,-9.96,;-2.87,-11.38,;-.49,-9.48,;.9,-10.13,;.41,-11.59,;.29,-13.13,;-1.26,-13.19,;.53,-14.65,;1.14,-16.07,;2.06,-17.29,;3.26,-18.26,;4.65,-18.92,;6.15,-19.23,;7.69,-19.18,;9.17,-18.75,;9.77,-20.16,;10.5,-17.98,;11.43,-19.2,;11.62,-16.91,;12.44,-15.6,;13.83,-16.26,;12.93,-14.14,;14.44,-14.44,;14.92,-15.92,;16.39,-16.38,;16.4,-17.92,;14.94,-18.4,;14.33,-19.81,;12.8,-19.99,;11.88,-18.75,;12.49,-17.34,;14.02,-17.17,;13.05,-12.61,;12.8,-11.09,;14.28,-10.67,;12.2,-9.68,;13.53,-8.91,;14.87,-9.68,;16.19,-8.91,;17.53,-9.68,;18.87,-8.91,;20.19,-9.68,;18.87,-7.37,;11.27,-8.44,;10.09,-7.47,;10.9,-6.17,;8.69,-6.81,;9.17,-5.35,;10.69,-5.05,;11.17,-3.59,;12.68,-3.28,;13.71,-4.44,;13.22,-5.89,;11.7,-6.19,;7.18,-6.51,;5.64,-6.55,;5.92,-5.52,;4.17,-6.99,;3.56,-5.58,;4.48,-4.34,;6.03,-4.38,;6.52,-2.9,;5.3,-1.99,;4.03,-2.88,;2.83,-7.77,;1.72,-8.83,;.53,-7.85,;6.03,-20.77,;7.29,-21.65,;4.64,-21.43,)| Show InChI InChI=1S/C53H74N16O10/c1-4-5-17-38(63-31(3)70)47(74)69-43-26-44(71)58-21-12-11-19-37(45(54)72)64-46(73)30(2)62-49(76)41(24-33-27-60-36-18-10-9-16-35(33)36)67-48(75)39(20-13-22-59-53(55)56)65-50(77)40(23-32-14-7-6-8-15-32)66-51(78)42(68-52(43)79)25-34-28-57-29-61-34/h6-10,14-16,18,27-30,37-43,60H,4-5,11-13,17,19-26H2,1-3H3,(H2,54,72)(H,57,61)(H,58,71)(H,62,76)(H,63,70)(H,64,73)(H,65,77)(H,66,78)(H,67,75)(H,68,79)(H,69,74)(H4,55,56,59)/t30-,37-,38-,39-,40+,41-,42-,43-/m0/s1 | PDB
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| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Medical Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human Melanocortin 1 receptor (hMC1R) |
J Med Chem 40: 1738-48 (1997)
Article DOI: 10.1021/jm960845e
BindingDB Entry DOI: 10.7270/Q29K4BWK |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50250591
(CHEMBL4072387)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)CN[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)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C77H111N21O18S/c1-43(2)65(66(79)106)97-75(115)62-20-13-30-98(62)76(116)55(18-10-11-28-78)90-63(103)39-86-67(107)59(34-47-36-84-52-17-9-8-16-51(47)52)95-69(109)53(19-12-29-83-77(80)81)91-71(111)57(32-45-14-6-5-7-15-45)93-70(110)56(35-49-37-82-42-87-49)85-38-48(23-26-64(104)105)89-68(108)54(27-31-117-4)92-74(114)61(41-100)96-72(112)58(33-46-21-24-50(102)25-22-46)94-73(113)60(40-99)88-44(3)101/h5-9,14-17,21-22,24-25,36-37,42-43,48,53-62,65,84-85,99-100,102H,10-13,18-20,23,26-35,38-41,78H2,1-4H3,(H2,79,106)(H,82,87)(H,86,107)(H,88,101)(H,89,108)(H,90,103)(H,91,111)(H,92,114)(H,93,110)(H,94,113)(H,95,109)(H,96,112)(H,97,115)(H,104,105)(H4,80,81,83)/t48-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method |
J Med Chem 60: 9320-9329 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50029747
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=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)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4) |
J Med Chem 48: 1839-48 (2005)
Article DOI: 10.1021/jm049579s
BindingDB Entry DOI: 10.7270/Q2XD12F5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50163146
(Ac-Tyr-Val-Nle-Gly-His-D-Phe-Arg-Trp-Asp-Arg-Phe-G...)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=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](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON Show InChI InChI=1S/C77H104N22O17/c1-5-6-22-53(94-75(115)65(43(2)3)99-74(114)57(90-44(4)100)34-47-26-28-50(101)29-27-47)66(106)87-40-62(102)91-60(36-49-39-83-42-89-49)72(112)96-58(33-46-19-11-8-12-20-46)70(110)92-55(25-16-31-85-77(80)81)69(109)97-59(35-48-38-86-52-23-14-13-21-51(48)52)71(111)98-61(37-63(103)104)73(113)93-54(24-15-30-84-76(78)79)68(108)95-56(32-45-17-9-7-10-18-45)67(107)88-41-64(105)116-82/h7-14,17-21,23,26-29,38-39,42-43,53-61,65,86,101H,5-6,15-16,22,24-25,30-37,40-41,82H2,1-4H3,(H,83,89)(H,87,106)(H,88,107)(H,90,100)(H,91,102)(H,92,110)(H,93,113)(H,94,115)(H,95,108)(H,96,112)(H,97,109)(H,98,111)(H,99,114)(H,103,104)(H4,78,79,84)(H4,80,81,85)/t53-,54-,55-,56-,57-,58-,59-,60-,61-,65-/m0/s1 | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4) |
J Med Chem 48: 1839-48 (2005)
Article DOI: 10.1021/jm049579s
BindingDB Entry DOI: 10.7270/Q2XD12F5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50029748
((2R,3R)-15-(2-Acetylamino-hexanoylamino)-9-benzyl-...)Show SMILES [H][C@]1(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(=O)NCCCC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O)[C@@H](C)c1c[nH]c2ccccc12 |wU:27.28,56.63,65.68,5.5,wD:37.55,46.52,16.16,1.0,(19.89,-7.11,;18.68,-8.53,;18.45,-7.02,;17.78,-5.61,;19.09,-4.78,;16.79,-4.45,;17.81,-3.3,;19.32,-3.62,;20.34,-2.47,;21.85,-2.76,;22.87,-1.63,;24.37,-1.93,;22.39,-.17,;15.51,-3.6,;14.03,-3.12,;13.68,-4.91,;12.5,-3.04,;12.37,-1.5,;13.62,-.62,;13.49,.92,;14.74,1.81,;16.15,1.17,;16.27,-.36,;15.03,-1.26,;11.02,-3.39,;9.65,-4.13,;10.31,-5.51,;8.56,-5.2,;7.34,-4.26,;7.57,-2.73,;8.91,-2,;8.62,-.49,;7.12,-.27,;6.45,-1.66,;7.79,-6.54,;7.41,-8.01,;5.87,-7.85,;7.44,-9.54,;7.89,-11.05,;8.72,-12.34,;7.57,-13.33,;9.87,-13.36,;11.25,-14.03,;12.78,-14.32,;14.29,-14.18,;15.73,-13.64,;16.98,-12.71,;17.94,-11.49,;18.52,-10.06,;19.99,-10.45,;18.07,-13.81,;17.65,-15.3,;19.54,-13.43,;5.93,-9.81,;5.36,-11.25,;6.35,-12.45,;3.85,-11.49,;2.89,-10.29,;3.44,-8.87,;2.44,-7.66,;2.99,-6.22,;3.31,-12.93,;1.8,-13.27,;1.32,-14.71,;.78,-12.11,;20.21,-8.52,;20.6,-7.02,;21.56,-9.26,;23,-8.75,;23.93,-9.99,;23.03,-11.25,;23.41,-12.75,;22.26,-13.81,;20.79,-13.36,;20.47,-11.86,;21.59,-10.8,)| Show InChI InChI=1S/C51H71N15O9/c1-4-5-17-37(60-30(3)67)45(70)65-41-25-42(68)56-21-12-11-19-36(44(52)69)61-50(75)43(29(2)34-27-58-35-18-10-9-16-33(34)35)66-46(71)38(20-13-22-57-51(53)54)62-47(72)39(23-31-14-7-6-8-15-31)63-48(73)40(64-49(41)74)24-32-26-55-28-59-32/h6-10,14-16,18,26-29,36-41,43,58H,4-5,11-13,17,19-25H2,1-3H3,(H2,52,69)(H,55,59)(H,56,68)(H,60,67)(H,61,75)(H,62,72)(H,63,73)(H,64,74)(H,65,70)(H,66,71)(H4,53,54,57)/t29-,36-,37-,38-,39+,40-,41-,43-/m0/s1 | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
The concentration that inhibits 50% specific binding was determined against the Melanocortin 1 receptor |
J Med Chem 38: 4720-9 (1995)
BindingDB Entry DOI: 10.7270/Q2B56HRS |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)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(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
The concentration that inhibits 50% specific binding was determined against the Melanocortin 1 receptor |
J Med Chem 38: 4720-9 (1995)
BindingDB Entry DOI: 10.7270/Q2B56HRS |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50268806
(Ac-Tyr-Val-Nle-Gly-His-DPhe-Arg-Trp-Asp-Arg-Phe-Gl...)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r,wU:12.21,56.58,35.35,81.85,45.46,4.4,100.104,wD:67.69,8.8,89.93,(6.82,-32.01,;5.49,-32.78,;5.49,-34.31,;4.16,-35.09,;4.16,-36.62,;2.82,-37.38,;1.49,-36.61,;1.49,-35.08,;.16,-37.38,;-1.17,-36.62,;-2.5,-37.4,;-2.5,-38.94,;-3.83,-36.63,;-3.83,-35.09,;-2.49,-34.32,;-1.16,-35.09,;.18,-34.32,;.18,-32.78,;1.51,-32,;-1.15,-32.01,;-2.49,-32.78,;-5.18,-37.37,;-6.51,-36.6,;-7.85,-37.37,;-6.51,-35.06,;.16,-38.93,;1.49,-39.69,;-1.18,-39.7,;5.49,-37.39,;5.49,-38.94,;6.83,-36.63,;8.16,-37.4,;9.49,-36.63,;9.49,-35.09,;10.83,-37.4,;12.17,-36.64,;12.17,-35.1,;13.5,-34.33,;14.91,-34.96,;15.95,-33.81,;15.17,-32.48,;13.66,-32.79,;13.5,-37.41,;13.5,-38.95,;14.83,-36.63,;16.17,-37.4,;16.17,-38.95,;17.5,-39.71,;18.84,-38.95,;20.17,-39.72,;20.17,-41.26,;18.83,-42.03,;17.5,-41.26,;17.5,-36.63,;17.5,-35.1,;18.83,-37.4,;20.18,-36.65,;20.18,-35.11,;21.51,-34.34,;21.51,-32.81,;22.84,-32.03,;22.85,-30.49,;21.51,-29.71,;24.18,-29.72,;21.51,-37.42,;21.51,-38.97,;22.84,-36.64,;24.17,-37.41,;24.17,-38.95,;25.5,-39.72,;26.91,-39.1,;27.94,-40.24,;27.17,-41.58,;27.64,-43.04,;26.61,-44.18,;25.1,-43.86,;24.63,-42.39,;25.66,-41.25,;25.5,-36.64,;25.5,-35.1,;26.84,-37.41,;28.17,-36.64,;28.17,-35.11,;29.5,-34.34,;30.83,-35.11,;29.5,-32.8,;29.5,-37.42,;29.5,-38.96,;30.84,-36.64,;32.17,-37.41,;32.17,-38.96,;33.49,-39.72,;33.49,-41.27,;34.82,-42.04,;34.83,-43.58,;33.49,-44.35,;36.16,-44.35,;33.49,-36.64,;33.49,-35.11,;34.83,-37.41,;36.16,-36.64,;36.16,-35.1,;37.5,-34.34,;38.83,-35.11,;40.16,-34.34,;40.17,-32.8,;38.84,-32.03,;37.5,-32.79,;37.5,-37.42,;37.5,-38.95,;38.83,-36.64,;40.16,-37.41,;41.48,-36.64,;42.83,-37.42,;41.48,-35.11,)| Show InChI InChI=1S/C77H104N22O16/c1-5-6-22-53(94-75(115)65(43(2)3)99-74(114)57(90-44(4)100)34-47-26-28-50(101)29-27-47)66(106)88-41-63(103)91-60(36-49-39-83-42-89-49)72(112)96-58(33-46-19-11-8-12-20-46)70(110)92-55(25-16-31-85-77(81)82)69(109)97-59(35-48-38-86-52-23-14-13-21-51(48)52)71(111)98-61(37-64(104)105)73(113)93-54(24-15-30-84-76(79)80)68(108)95-56(67(107)87-40-62(78)102)32-45-17-9-7-10-18-45/h7-14,17-21,23,26-29,38-39,42-43,53-61,65,86,101H,5-6,15-16,22,24-25,30-37,40-41H2,1-4H3,(H2,78,102)(H,83,89)(H,87,107)(H,88,106)(H,90,100)(H,91,103)(H,92,110)(H,93,113)(H,94,115)(H,95,108)(H,96,112)(H,97,109)(H,98,111)(H,99,114)(H,104,105)(H4,79,80,84)(H4,81,82,85)/t53-,54-,55-,56-,57-,58+,59-,60-,61-,65-/m0/s1 | PDB
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PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method |
J Med Chem 60: 9320-9329 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50268806
(Ac-Tyr-Val-Nle-Gly-His-DPhe-Arg-Trp-Asp-Arg-Phe-Gl...)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r,wU:12.21,56.58,35.35,81.85,45.46,4.4,100.104,wD:67.69,8.8,89.93,(6.82,-32.01,;5.49,-32.78,;5.49,-34.31,;4.16,-35.09,;4.16,-36.62,;2.82,-37.38,;1.49,-36.61,;1.49,-35.08,;.16,-37.38,;-1.17,-36.62,;-2.5,-37.4,;-2.5,-38.94,;-3.83,-36.63,;-3.83,-35.09,;-2.49,-34.32,;-1.16,-35.09,;.18,-34.32,;.18,-32.78,;1.51,-32,;-1.15,-32.01,;-2.49,-32.78,;-5.18,-37.37,;-6.51,-36.6,;-7.85,-37.37,;-6.51,-35.06,;.16,-38.93,;1.49,-39.69,;-1.18,-39.7,;5.49,-37.39,;5.49,-38.94,;6.83,-36.63,;8.16,-37.4,;9.49,-36.63,;9.49,-35.09,;10.83,-37.4,;12.17,-36.64,;12.17,-35.1,;13.5,-34.33,;14.91,-34.96,;15.95,-33.81,;15.17,-32.48,;13.66,-32.79,;13.5,-37.41,;13.5,-38.95,;14.83,-36.63,;16.17,-37.4,;16.17,-38.95,;17.5,-39.71,;18.84,-38.95,;20.17,-39.72,;20.17,-41.26,;18.83,-42.03,;17.5,-41.26,;17.5,-36.63,;17.5,-35.1,;18.83,-37.4,;20.18,-36.65,;20.18,-35.11,;21.51,-34.34,;21.51,-32.81,;22.84,-32.03,;22.85,-30.49,;21.51,-29.71,;24.18,-29.72,;21.51,-37.42,;21.51,-38.97,;22.84,-36.64,;24.17,-37.41,;24.17,-38.95,;25.5,-39.72,;26.91,-39.1,;27.94,-40.24,;27.17,-41.58,;27.64,-43.04,;26.61,-44.18,;25.1,-43.86,;24.63,-42.39,;25.66,-41.25,;25.5,-36.64,;25.5,-35.1,;26.84,-37.41,;28.17,-36.64,;28.17,-35.11,;29.5,-34.34,;30.83,-35.11,;29.5,-32.8,;29.5,-37.42,;29.5,-38.96,;30.84,-36.64,;32.17,-37.41,;32.17,-38.96,;33.49,-39.72,;33.49,-41.27,;34.82,-42.04,;34.83,-43.58,;33.49,-44.35,;36.16,-44.35,;33.49,-36.64,;33.49,-35.11,;34.83,-37.41,;36.16,-36.64,;36.16,-35.1,;37.5,-34.34,;38.83,-35.11,;40.16,-34.34,;40.17,-32.8,;38.84,-32.03,;37.5,-32.79,;37.5,-37.42,;37.5,-38.95,;38.83,-36.64,;40.16,-37.41,;41.48,-36.64,;42.83,-37.42,;41.48,-35.11,)| Show InChI InChI=1S/C77H104N22O16/c1-5-6-22-53(94-75(115)65(43(2)3)99-74(114)57(90-44(4)100)34-47-26-28-50(101)29-27-47)66(106)88-41-63(103)91-60(36-49-39-83-42-89-49)72(112)96-58(33-46-19-11-8-12-20-46)70(110)92-55(25-16-31-85-77(81)82)69(109)97-59(35-48-38-86-52-23-14-13-21-51(48)52)71(111)98-61(37-64(104)105)73(113)93-54(24-15-30-84-76(79)80)68(108)95-56(67(107)87-40-62(78)102)32-45-17-9-7-10-18-45/h7-14,17-21,23,26-29,38-39,42-43,53-61,65,86,101H,5-6,15-16,22,24-25,30-37,40-41H2,1-4H3,(H2,78,102)(H,83,89)(H,87,107)(H,88,106)(H,90,100)(H,91,103)(H,92,110)(H,93,113)(H,94,115)(H,95,108)(H,96,112)(H,97,109)(H,98,111)(H,99,114)(H,104,105)(H4,79,80,84)(H4,81,82,85)/t53-,54-,55-,56-,57-,58+,59-,60-,61-,65-/m0/s1 | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level |
J Med Chem 52: 3627-35 (2009)
Article DOI: 10.1021/jm801300c
BindingDB Entry DOI: 10.7270/Q2D21ZJ5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM82411
(CAS_75921-69-6 | NDP-MSH)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from Melanocortin 1 receptor at 10 uM |
J Med Chem 40: 2133-9 (1997)
Article DOI: 10.1021/jm960840h
BindingDB Entry DOI: 10.7270/Q28K79R6 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM82411
(CAS_75921-69-6 | NDP-MSH)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Medical Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human Melanocortin 1 receptor (hMC1R) |
J Med Chem 40: 1738-48 (1997)
Article DOI: 10.1021/jm960845e
BindingDB Entry DOI: 10.7270/Q29K4BWK |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50354717
(CHEMBL1834393)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:26.29,8.10,4.4,101.104,119.124,135.141,wD:14.23,60.61,69.70,79.81,90.93,131.138,(18.92,-28.29,;18.93,-29.83,;17.6,-30.6,;17.6,-32.14,;16.26,-32.92,;14.93,-32.14,;13.59,-32.92,;13.59,-34.45,;12.25,-32.14,;12.25,-30.6,;13.59,-29.83,;10.92,-32.92,;9.58,-32.14,;9.58,-30.6,;8.25,-32.92,;8.25,-34.45,;9.58,-35.23,;10.91,-34.46,;12.24,-35.22,;12.24,-36.77,;13.58,-37.54,;10.91,-37.54,;9.58,-36.76,;6.92,-32.14,;5.57,-32.92,;5.57,-34.45,;4.24,-32.14,;4.24,-30.6,;2.91,-29.83,;2.91,-32.92,;1.57,-32.15,;1.57,-30.61,;.24,-32.92,;-1.09,-32.16,;.38,-31.8,;.38,-30.27,;-1.12,-29.93,;-.04,-28.83,;-.45,-27.35,;-1.93,-26.96,;.64,-26.26,;-1.48,-28.45,;-3.03,-28.45,;-3.37,-29.93,;-4.47,-28.83,;-5.96,-29.23,;-7.04,-28.15,;-6.35,-30.72,;-4.84,-30.29,;-4.83,-31.81,;-3.32,-32.14,;-4.42,-33.23,;-4.03,-34.72,;-2.55,-35.12,;-5.12,-35.8,;-2.97,-33.65,;-1.43,-33.65,;16.26,-34.45,;14.93,-35.23,;17.6,-35.23,;17.6,-36.77,;16.26,-37.54,;16.26,-39.08,;14.93,-39.86,;13.59,-39.08,;14.93,-41.39,;18.93,-37.54,;20.27,-36.77,;18.93,-39.08,;20.27,-39.86,;20.27,-41.39,;18.93,-42.17,;18.77,-43.7,;17.27,-44.02,;16.5,-42.69,;17.53,-41.54,;21.6,-39.08,;21.6,-37.54,;22.94,-39.86,;24.27,-39.08,;24.27,-37.54,;25.61,-36.77,;26.94,-37.54,;28.28,-36.76,;28.28,-35.23,;26.94,-34.45,;25.61,-35.23,;25.61,-39.86,;25.61,-41.39,;26.95,-39.08,;28.28,-39.86,;28.28,-41.39,;29.62,-42.17,;29.62,-43.71,;30.96,-44.48,;30.96,-46.02,;29.62,-46.8,;32.29,-46.8,;29.62,-39.08,;29.62,-37.54,;30.96,-39.86,;32.29,-39.08,;32.29,-37.54,;33.63,-36.77,;35.03,-37.39,;36.07,-36.25,;35.3,-34.91,;35.78,-33.45,;34.75,-32.3,;33.24,-32.62,;32.76,-34.09,;33.79,-35.23,;33.63,-39.86,;33.63,-41.39,;34.97,-39.08,;36.3,-39.86,;37.63,-39.08,;37.63,-37.54,;38.97,-39.86,;40.3,-39.08,;40.3,-37.54,;38.97,-36.77,;38.97,-35.23,;40.3,-34.45,;40.3,-32.92,;41.64,-39.86,;42.98,-39.08,;41.64,-41.39,;40.39,-42.31,;40.87,-43.77,;42.41,-43.77,;42.89,-42.31,;44.19,-41.48,;44.2,-39.94,;45.52,-42.26,;46.86,-41.49,;46.87,-39.95,;48.21,-39.2,;45.54,-39.17,;48.19,-42.28,;48.17,-43.82,;49.53,-41.52,)| Show InChI InChI=1S/C92H135N25O25/c1-4-5-18-62(105-89(140)71(52-119)111-86(137)67(41-56-23-25-59(120)26-24-56)108-88(139)70(51-118)103-74(122)47-113-32-34-114(48-76(125)126)36-38-116(50-78(129)130)39-37-115(35-33-113)49-77(127)128)82(133)106-64(27-28-75(123)124)84(135)110-69(43-58-45-97-53-101-58)87(138)107-66(40-55-15-7-6-8-16-55)85(136)104-63(21-13-30-98-92(95)96)83(134)109-68(42-57-44-99-61-19-10-9-17-60(57)61)81(132)100-46-73(121)102-65(20-11-12-29-93)91(142)117-31-14-22-72(117)90(141)112-79(54(2)3)80(94)131/h6-10,15-17,19,23-26,44-45,53-54,62-72,79,99,118-120H,4-5,11-14,18,20-22,27-43,46-52,93H2,1-3H3,(H2,94,131)(H,97,101)(H,100,132)(H,102,121)(H,103,122)(H,104,136)(H,105,140)(H,106,133)(H,107,138)(H,108,139)(H,109,134)(H,110,135)(H,111,137)(H,112,141)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H4,95,96,98)/t62-,63-,64-,65-,66+,67-,68-,69-,70-,71-,72-,79-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting |
Bioorg Med Chem Lett 21: 5757-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.017
BindingDB Entry DOI: 10.7270/Q2H132DZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50326435
(CHEMBL1240919)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O |r,wU:127.132,112.117,135.140,108.112,14.22,7.6,3.3,98.108,45.55,67.78,86.93,25.28,56.67,wD:92.99,31.44,77.87,(57.47,-18.55,;56.13,-17.78,;54.8,-18.56,;56.13,-16.24,;57.46,-15.46,;57.45,-13.46,;56.12,-12.7,;58.79,-12.68,;60.09,-13.53,;61.21,-12.26,;60.34,-10.82,;58.7,-11.18,;56.97,-10.17,;55.63,-10.95,;56.97,-8.63,;58.3,-7.87,;58.3,-6.33,;59.64,-5.54,;59.65,-4,;58.31,-3.23,;56.97,-4,;58.31,-1.69,;55.63,-7.87,;55.63,-6.32,;56.97,-5.54,;54.3,-5.54,;54.3,-4,;55.63,-3.23,;52.97,-6.32,;51.64,-5.54,;51.64,-4,;50.31,-6.32,;50.31,-7.86,;51.64,-8.63,;52.89,-7.73,;54.13,-8.64,;53.66,-10.1,;54.43,-11.44,;53.64,-12.78,;52.1,-12.78,;51.34,-11.43,;52.11,-10.1,;48.97,-5.54,;47.64,-6.32,;47.64,-7.87,;46.31,-5.54,;46.31,-4,;47.64,-3.24,;47.64,-1.7,;48.98,-.93,;48.98,.61,;47.65,1.39,;50.33,1.39,;44.98,-6.31,;43.65,-5.53,;43.65,-3.99,;42.32,-6.31,;42.32,-7.85,;43.65,-8.62,;44.98,-7.86,;46.32,-8.62,;46.31,-10.17,;44.98,-10.94,;43.64,-10.16,;40.98,-5.54,;39.64,-6.32,;39.64,-7.86,;38.3,-5.54,;38.3,-4,;39.64,-3.23,;41.1,-3.75,;42.04,-2.53,;41.18,-1.25,;39.69,-1.69,;36.96,-6.3,;35.63,-5.52,;35.63,-3.98,;34.3,-6.29,;34.3,-7.84,;32.96,-8.61,;32.96,-10.15,;34.28,-10.91,;31.62,-10.92,;32.96,-5.53,;32.96,-3.99,;34.3,-3.23,;31.63,-3.22,;31.63,-1.68,;32.96,-.9,;30.29,-3.97,;28.94,-3.21,;28.94,-1.67,;27.61,-3.98,;27.61,-5.52,;28.94,-6.29,;26.28,-3.21,;24.96,-4,;24.96,-5.54,;23.62,-3.23,;23.62,-1.69,;24.96,-.91,;24.96,.63,;26.29,1.4,;26.28,2.96,;22.28,-3.99,;21,-3.29,;20.97,-1.82,;19.75,-4.05,;18.46,-3.35,;18.43,-1.88,;17.14,-1.18,;15.89,-1.94,;17.11,.29,;18.36,1.05,;18.32,2.51,;19.57,3.27,;19.54,4.73,;20.79,5.49,;20.75,6.95,;22.07,4.79,;15.82,.99,;15.79,2.46,;17.04,3.22,;14.5,3.16,;13.25,2.4,;13.28,.94,;14.57,.23,;12.03,.17,;10.74,.87,;10.71,2.34,;9.42,3.04,;11.96,3.1,;12.06,-1.3,;14.7,-5.64,;13.46,-6.4,;15.99,-6.34,;16.03,-7.8,;14.78,-8.56,;13.49,-7.86,;12.23,-8.62,;12.27,-10.09,;11.02,-10.85,;13.56,-10.79,;14.81,-10.02,;17.25,-5.57,;17.21,-4.11,;15.93,-3.4,;54.79,-15.47,;53.46,-16.24,;54.78,-13.93,)| Show InChI InChI=1S/C93H135N31O23S3/c1-47(2)74(75(95)132)123-89(146)69-22-13-33-124(69)90(147)59(21-12-32-105-93(100)101)113-87(144)67(44-149)121-83(140)62(36-50-40-106-54-17-7-6-16-53(50)54)116-79(136)57(20-11-31-104-92(98)99)111-81(138)60(34-48-14-4-3-5-15-48)114-84(141)63(37-51-41-102-46-108-51)117-80(137)58(27-28-72(128)129)112-86(143)66(43-148)122-88(145)68(45-150)120-78(135)55(18-8-9-29-94)109-70(126)38-64-85(142)115-61(35-49-23-25-52(125)26-24-49)82(139)119-65(39-73(130)131)76(133)107-42-71(127)110-56(77(134)118-64)19-10-30-103-91(96)97/h3-7,14-17,23-26,40-41,46-47,55-69,74,106,125,148-150H,8-13,18-22,27-39,42-45,94H2,1-2H3,(H2,95,132)(H,102,108)(H,107,133)(H,109,126)(H,110,127)(H,111,138)(H,112,143)(H,113,144)(H,114,141)(H,115,142)(H,116,136)(H,117,137)(H,118,134)(H,119,139)(H,120,135)(H,121,140)(H,122,145)(H,123,146)(H,128,129)(H,130,131)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t55-,56-,57-,58-,59-,60+,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico
Curated by ChEMBL
| Assay Description
Displacement of [125I]-(Tyr2)-NDP-MSH from MC1 receptor in mouse B16/F1 cells |
Bioorg Med Chem 18: 6695-700 (2010)
Article DOI: 10.1016/j.bmc.2010.07.061
BindingDB Entry DOI: 10.7270/Q2T72HPD |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50163141
(CHEMBL438920 | H-Tyr-Val-Nle-Gly-His-D-Phe-Arg-D-N...)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON Show InChI InChI=1S/C77H103N21O16/c1-4-5-22-54(93-75(113)65(44(2)3)98-66(104)53(78)34-47-26-29-52(99)30-27-47)67(105)87-41-62(100)90-60(38-51-40-84-43-89-51)73(111)96-58(36-46-18-10-7-11-19-46)71(109)91-56(24-15-32-86-77(81)82)70(108)95-59(37-48-25-28-49-20-12-13-21-50(49)33-48)72(110)97-61(39-63(101)102)74(112)92-55(23-14-31-85-76(79)80)69(107)94-57(35-45-16-8-6-9-17-45)68(106)88-42-64(103)114-83/h6-13,16-21,25-30,33,40,43-44,53-61,65,99H,4-5,14-15,22-24,31-32,34-39,41-42,78,83H2,1-3H3,(H,84,89)(H,87,105)(H,88,106)(H,90,100)(H,91,109)(H,92,112)(H,93,113)(H,94,107)(H,95,108)(H,96,111)(H,97,110)(H,98,104)(H,101,102)(H4,79,80,85)(H4,81,82,86)/t53-,54-,55-,56-,57-,58-,59+,60-,61-,65-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4) |
J Med Chem 48: 1839-48 (2005)
Article DOI: 10.1021/jm049579s
BindingDB Entry DOI: 10.7270/Q2XD12F5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50468287
(CHEMBL4292317)Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C33H41FN6O5/c1-3-4-9-26(31(43)38-27(30(35)42)18-22-19-36-25-10-6-5-8-24(22)25)37-32(44)28(17-21-12-14-23(34)15-13-21)39-33(45)29-11-7-16-40(29)20(2)41/h5-6,8,10,12-15,19,26-29,36H,3-4,7,9,11,16-18H2,1-2H3,(H2,35,42)(H,37,44)(H,38,43)(H,39,45)/t26-,27-,28+,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting analysis |
Eur J Med Chem 151: 815-823 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50354716
(CHEMBL1834394)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:26.29,8.10,4.4,127.132,145.152,161.169,wD:14.23,86.89,95.98,105.109,116.121,157.166,(27.78,-6.77,;27.78,-8.31,;26.45,-9.09,;26.45,-10.63,;25.11,-11.4,;23.78,-10.63,;22.45,-11.4,;22.45,-12.94,;21.1,-10.63,;21.1,-9.09,;22.45,-8.31,;19.77,-11.4,;18.44,-10.63,;18.44,-9.09,;17.1,-11.4,;17.1,-12.94,;18.44,-13.72,;19.77,-12.95,;21.09,-13.71,;21.09,-15.26,;22.43,-16.03,;19.76,-16.03,;18.44,-15.25,;15.77,-10.63,;14.43,-11.4,;14.43,-12.94,;13.09,-10.63,;13.09,-9.09,;11.76,-8.31,;11.76,-11.4,;10.42,-10.64,;9.1,-11.41,;7.76,-10.65,;6.43,-11.42,;5.1,-10.66,;3.77,-11.43,;2.44,-10.66,;2.27,-9.13,;.77,-8.81,;.14,-10.04,;1.04,-11.29,;.79,-12.81,;-.44,-13.71,;-1.97,-13.47,;-2.87,-12.23,;-2.63,-10.7,;-1.38,-9.8,;-.62,-8.46,;-2.72,-9.02,;-4.05,-9.78,;-2.71,-7.48,;-4.03,-6.7,;-4.02,-5.16,;-5.35,-4.39,;-5.34,-2.85,;-6.67,-2.07,;-6.66,-.53,;-7.98,.24,;-5.32,.23,;-5.31,1.76,;-4.02,.95,;-2.93,2.02,;-3.73,3.34,;-2.18,3.32,;-1.4,4.64,;-2.16,5.98,;.14,4.63,;-2.91,4.63,;-3.98,5.73,;-5.29,4.95,;-5.27,6.5,;-6.59,7.29,;-6.56,8.84,;-7.93,6.54,;-6.57,5.76,;-7.66,4.69,;-6.84,3.37,;-8.39,3.41,;-9.18,2.09,;-10.72,2.13,;-8.44,.75,;-7.68,2.07,;-6.62,.97,;25.11,-12.94,;23.78,-13.72,;26.45,-13.72,;26.45,-15.25,;25.11,-16.03,;25.11,-17.57,;23.78,-18.34,;22.45,-17.57,;23.78,-19.88,;27.78,-16.03,;29.12,-15.25,;27.78,-17.57,;29.12,-18.34,;29.12,-19.88,;27.78,-20.66,;27.63,-22.19,;26.12,-22.51,;25.35,-21.18,;26.38,-20.03,;30.46,-17.57,;30.46,-16.03,;31.79,-18.34,;33.13,-17.57,;33.13,-16.03,;34.47,-15.25,;35.8,-16.03,;37.13,-15.25,;37.13,-13.72,;35.8,-12.94,;34.47,-13.72,;34.47,-18.34,;34.47,-19.88,;35.8,-17.57,;37.14,-18.34,;37.14,-19.88,;38.47,-20.66,;38.47,-22.2,;39.81,-22.97,;39.81,-24.51,;38.47,-25.29,;41.15,-25.29,;38.47,-17.57,;38.47,-16.03,;39.81,-18.34,;41.15,-17.57,;41.15,-16.03,;42.48,-15.25,;43.89,-15.88,;44.92,-14.74,;44.15,-13.4,;44.63,-11.94,;43.6,-10.79,;42.1,-11.11,;41.61,-12.57,;42.65,-13.72,;42.48,-18.34,;42.48,-19.88,;43.82,-17.57,;45.16,-18.34,;46.49,-17.57,;46.49,-16.03,;47.82,-18.34,;49.16,-17.57,;49.16,-16.03,;47.82,-15.25,;47.82,-13.72,;49.16,-12.94,;49.16,-11.4,;50.5,-18.34,;51.83,-17.57,;50.5,-19.88,;49.25,-20.8,;49.72,-22.26,;51.26,-22.26,;51.75,-20.79,;53.04,-19.97,;53.06,-18.42,;54.38,-20.74,;55.72,-19.98,;55.72,-18.44,;57.07,-17.69,;54.4,-17.66,;57.04,-20.77,;57.03,-22.31,;58.39,-20.01,)| Show InChI InChI=1S/C111H167FN30O26/c1-4-5-27-77(127-106(165)86(67-144)133-103(162)82(56-71-33-35-74(145)36-34-71)130-105(164)85(66-143)118-41-18-6-7-21-46-142-87-31-12-9-16-39-111(112,96(87)135-136-142)109(168)120-43-20-19-42-119-90(147)62-137-47-49-138(63-92(150)151)51-53-140(65-94(154)155)54-52-139(50-48-137)64-93(152)153)99(158)128-79(37-38-91(148)149)101(160)132-84(58-73-60-117-68-124-73)104(163)129-81(55-70-24-10-8-11-25-70)102(161)126-78(30-22-44-121-110(115)116)100(159)131-83(57-72-59-122-76-28-14-13-26-75(72)76)98(157)123-61-89(146)125-80(29-15-17-40-113)108(167)141-45-23-32-88(141)107(166)134-95(69(2)3)97(114)156/h8,10-11,13-14,24-26,28,33-36,59-60,68-69,77-86,88,95,118,122,143-145H,4-7,9,12,15-23,27,29-32,37-58,61-67,113H2,1-3H3,(H2,114,156)(H,117,124)(H,119,147)(H,120,168)(H,123,157)(H,125,146)(H,126,161)(H,127,165)(H,128,158)(H,129,163)(H,130,164)(H,131,159)(H,132,160)(H,133,162)(H,134,166)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H4,115,116,121)/t77-,78-,79-,80-,81+,82-,83-,84-,85-,86-,88-,95-,111?/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting |
Bioorg Med Chem Lett 21: 5757-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.017
BindingDB Entry DOI: 10.7270/Q2H132DZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50115292
(CHEMBL438180 | DOTA-ReCCEHdFRWCKPVD-OH)Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(=O)NC(CC(O)=O)C(O)=O Show InChI InChI=1S/C79H115N25O24S3.O.Re/c1-42(2)62(69(122)95-54(77(127)128)34-58(108)109)97-68(121)55-17-10-22-104(55)76(126)50(16-9-21-86-79(82)83)91-71(124)74(130)98-67(120)52(32-44-35-87-47-14-7-6-13-46(44)47)93-63(116)48(15-8-20-85-78(80)81)89-65(118)51(31-43-11-4-3-5-12-43)92-66(119)53(33-45-36-84-41-88-45)94-64(117)49(18-19-57(106)107)90-70(123)75(131)99-72(125)73(129)96-56(105)37-100-23-25-101(38-59(110)111)27-29-103(40-61(114)115)30-28-102(26-24-100)39-60(112)113;;/h3-7,11-14,35-36,41-42,48-55,62,73-75,87H,8-10,15-34,37-40H2,1-2H3,(H29,80,81,82,83,84,85,86,88,89,90,91,92,93,94,95,96,97,98,99,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,127,128,129,130,131);;/q;-1;+3/p-4/t48?,49?,50?,51-,52?,53?,54?,55?,62?,73?,74?,75?;;/m0../s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-Columbia
Curated by ChEMBL
| Assay Description
In vitro binding affinity for the melanoma receptor was determined in the murine melanoma B16/F1 cell line |
J Med Chem 45: 3048-56 (2002)
BindingDB Entry DOI: 10.7270/Q2WQ034Z |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50354715
(CHEMBL1834395)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:26.29,8.10,4.4,120.125,138.145,154.162,wD:14.23,79.82,88.91,98.102,109.114,150.159,(30.34,-37.71,;30.34,-39.25,;29.01,-40.02,;29.01,-41.56,;27.68,-42.34,;26.34,-41.56,;25.01,-42.34,;25.01,-43.87,;23.67,-41.56,;23.67,-40.02,;25.01,-39.25,;22.33,-42.34,;21,-41.56,;21,-40.02,;19.66,-42.34,;19.66,-43.87,;21,-44.65,;22.33,-43.88,;23.66,-44.65,;23.66,-46.19,;24.99,-46.96,;22.32,-46.96,;21,-46.18,;18.33,-41.56,;16.99,-42.34,;16.99,-43.87,;15.66,-41.56,;15.66,-40.02,;14.32,-39.25,;14.32,-42.34,;12.99,-41.57,;11.66,-42.35,;10.32,-41.58,;9,-42.35,;7.67,-41.59,;6.34,-42.36,;5,-41.6,;4.83,-40.06,;3.33,-39.75,;2.7,-40.98,;3.6,-42.22,;3.36,-43.75,;2.12,-44.64,;.6,-44.4,;-.31,-43.16,;-.07,-41.64,;1.18,-40.73,;1.94,-39.4,;-.16,-39.95,;-1.49,-40.71,;-.15,-38.41,;-1.47,-37.63,;-1.46,-36.1,;-2.79,-35.32,;-2.78,-33.78,;-4.1,-33,;-4.09,-31.47,;-5.42,-30.69,;-2.76,-30.71,;-2.74,-29.17,;-1.3,-28.62,;-.56,-27.29,;-.86,-25.78,;.46,-24.99,;1.81,-25.73,;3.12,-24.93,;1.84,-27.27,;-2.04,-24.82,;-3.58,-24.85,;-4.74,-25.85,;-6.09,-25.1,;-7.41,-25.89,;-8.75,-25.14,;-7.38,-27.43,;-4.98,-27.36,;-4.19,-28.68,;27.68,-43.87,;26.34,-44.65,;29.01,-44.65,;29.01,-46.19,;27.68,-46.96,;27.68,-48.5,;26.34,-49.28,;25.01,-48.5,;26.34,-50.81,;30.34,-46.96,;31.69,-46.19,;30.34,-48.5,;31.69,-49.28,;31.69,-50.81,;30.34,-51.59,;30.19,-53.12,;28.68,-53.45,;27.91,-52.11,;28.94,-50.96,;33.02,-48.5,;33.02,-46.96,;34.35,-49.28,;35.69,-48.5,;35.69,-46.96,;37.03,-46.19,;38.36,-46.96,;39.69,-46.19,;39.69,-44.65,;38.36,-43.87,;37.03,-44.65,;37.03,-49.28,;37.03,-50.81,;38.36,-48.5,;39.7,-49.28,;39.7,-50.81,;41.03,-51.59,;41.03,-53.13,;42.37,-53.91,;42.37,-55.44,;41.03,-56.22,;43.71,-56.22,;41.03,-48.5,;41.03,-46.96,;42.37,-49.28,;43.71,-48.5,;43.71,-46.96,;45.04,-46.19,;46.45,-46.81,;47.48,-45.67,;46.71,-44.33,;47.19,-42.87,;46.17,-41.72,;44.66,-42.04,;44.17,-43.51,;45.21,-44.65,;45.04,-49.28,;45.04,-50.81,;46.38,-48.5,;47.72,-49.28,;49.05,-48.5,;49.05,-46.96,;50.39,-49.28,;51.72,-48.5,;51.72,-46.96,;50.39,-46.19,;50.39,-44.65,;51.72,-43.87,;51.72,-42.34,;53.06,-49.28,;54.4,-48.5,;53.06,-50.81,;51.81,-51.73,;52.28,-53.19,;53.83,-53.19,;54.31,-51.73,;55.6,-50.9,;55.62,-49.36,;56.94,-51.68,;58.28,-50.92,;58.29,-49.38,;59.63,-48.62,;56.96,-48.59,;59.61,-51.7,;59.59,-53.25,;60.95,-50.94,)| Show InChI InChI=1S/C107H160FN29O24/c1-4-5-27-74(123-102(158)83(64-139)129-99(155)79(54-68-33-35-71(140)36-34-68)126-101(157)82(63-138)114-41-18-6-7-21-46-137-84-31-12-9-16-39-107(108,92(84)131-132-137)105(161)116-43-20-19-42-115-87(142)60-133-47-49-134(61-89(145)146)51-52-135(50-48-133)62-90(147)148)95(151)124-76(37-38-88(143)144)97(153)128-81(56-70-58-113-65-120-70)100(156)125-78(53-67-24-10-8-11-25-67)98(154)122-75(30-22-44-117-106(111)112)96(152)127-80(55-69-57-118-73-28-14-13-26-72(69)73)94(150)119-59-86(141)121-77(29-15-17-40-109)104(160)136-45-23-32-85(136)103(159)130-91(66(2)3)93(110)149/h8,10-11,13-14,24-26,28,33-36,57-58,65-66,74-83,85,91,114,118,138-140H,4-7,9,12,15-23,27,29-32,37-56,59-64,109H2,1-3H3,(H2,110,149)(H,113,120)(H,115,142)(H,116,161)(H,119,150)(H,121,141)(H,122,154)(H,123,158)(H,124,151)(H,125,156)(H,126,157)(H,127,152)(H,128,153)(H,129,155)(H,130,159)(H,143,144)(H,145,146)(H,147,148)(H4,111,112,117)/t74-,75-,76-,77-,78+,79-,80-,81-,82-,83-,85-,91-,107?/m0/s1 | KEGG
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The University of Iowa
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting |
Bioorg Med Chem Lett 21: 5757-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.017
BindingDB Entry DOI: 10.7270/Q2H132DZ |
More data for this
Ligand-Target Pair | |
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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University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting analysis |
Eur J Med Chem 151: 815-823 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T |
More data for this
Ligand-Target Pair | |
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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Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells by gamma counting analysis |
ACS Med Chem Lett 6: 192-7 (2015)
Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121268
(21-(2-Acetylamino-hexanoylamino)-7-[3-(diaminometh...)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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41-,42+,43-,44-,45+/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC1R expressed in HEK293 cells |
J Med Chem 52: 3627-35 (2009)
Article DOI: 10.1021/jm801300c
BindingDB Entry DOI: 10.7270/Q2D21ZJ5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50027179
(CHEMBL2096759)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON Show InChI InChI=1S/C75H102N22O16/c1-4-5-21-52(92-73(112)63(42(2)3)97-64(103)50(76)31-45-25-27-48(98)28-26-45)65(104)86-39-60(99)89-58(35-47-38-82-41-88-47)71(110)94-56(33-44-18-10-7-11-19-44)69(108)90-54(24-15-30-84-75(79)80)68(107)95-57(34-46-37-85-51-22-13-12-20-49(46)51)70(109)96-59(36-61(100)101)72(111)91-53(23-14-29-83-74(77)78)67(106)93-55(32-43-16-8-6-9-17-43)66(105)87-40-62(102)113-81/h6-13,16-20,22,25-28,37-38,41-42,50,52-59,63,85,98H,4-5,14-15,21,23-24,29-36,39-40,76,81H2,1-3H3,(H,82,88)(H,86,104)(H,87,105)(H,89,99)(H,90,108)(H,91,111)(H,92,112)(H,93,106)(H,94,110)(H,95,107)(H,96,109)(H,97,103)(H,100,101)(H4,77,78,83)(H4,79,80,84)/t50-,52-,53-,54-,55-,56+,57+,58-,59-,63-/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4) |
J Med Chem 48: 1839-48 (2005)
Article DOI: 10.1021/jm049579s
BindingDB Entry DOI: 10.7270/Q2XD12F5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)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(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor (hMC1R) using NDP-MSH as radioligand |
Bioorg Med Chem Lett 13: 1307-11 (2003)
BindingDB Entry DOI: 10.7270/Q21J994C |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50268796
(Ac-Nle-c[Asp-cis-4-guanidinyl-Pro-DPhe-Arg-Trp-Lys...)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]2C[C@@H](CN2C1=O)N=C(N)N)C(N)=O |r,wU:4.4,50.52,12.11,21.76,wD:25.25,39.41,61.68,63.72,(20.34,-25.22,;18.98,-24.49,;18.93,-22.95,;17.57,-22.23,;17.52,-20.69,;18.83,-19.87,;18.78,-18.33,;20.08,-17.51,;17.42,-17.6,;16.16,-19.96,;16.11,-18.42,;14.85,-20.77,;13.49,-20.05,;12.18,-20.86,;12.24,-22.4,;13.59,-23.13,;10.92,-23.22,;9.56,-22.49,;8.26,-23.31,;6.89,-22.58,;5.58,-23.39,;4.23,-22.66,;4.17,-21.12,;2.82,-20.4,;1.5,-21.21,;2.76,-18.86,;1.39,-18.12,;-.07,-18.63,;-1.33,-17.73,;-2.56,-18.65,;-2.05,-20.13,;-2.79,-21.47,;-1.99,-22.78,;-.45,-22.73,;.28,-21.39,;-.52,-20.09,;4.07,-18.04,;5.39,-18.27,;6.72,-19.07,;4.02,-16.5,;2.66,-15.78,;2.61,-14.23,;1.25,-13.51,;1.2,-11.97,;-.17,-11.24,;-.21,-9.7,;-1.47,-12.06,;5.33,-15.69,;6.69,-16.41,;6.74,-17.95,;8,-15.6,;7.95,-14.06,;6.59,-13.33,;6.54,-11.79,;5.18,-11.07,;3.87,-11.88,;3.92,-13.43,;5.27,-14.15,;9.36,-16.32,;10.67,-15.52,;10.62,-13.97,;12.04,-16.25,;13.12,-15.14,;14.62,-15.54,;14.61,-17.08,;12.07,-17.77,;13.44,-18.51,;14.75,-17.69,;15.84,-14.61,;15.64,-13.08,;14.21,-12.48,;16.87,-12.14,;2.92,-23.48,;1.55,-22.75,;2.96,-25.02,)| Show InChI InChI=1S/C50H72N16O9/c1-3-4-16-35(59-28(2)67)43(70)65-39-25-41(68)56-20-11-10-18-34(42(51)69)61-46(73)38(23-30-26-58-33-17-9-8-15-32(30)33)63-44(71)36(19-12-21-57-49(52)53)62-45(72)37(22-29-13-6-5-7-14-29)64-47(74)40-24-31(60-50(54)55)27-66(40)48(39)75/h5-9,13-15,17,26,31,34-40,58H,3-4,10-12,16,18-25,27H2,1-2H3,(H2,51,69)(H,56,68)(H,59,67)(H,61,73)(H,62,72)(H,63,71)(H,64,74)(H,65,70)(H4,52,53,57)(H4,54,55,60)/t31-,34-,35-,36-,37+,38-,39-,40-/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC1R expressed in HEK293 cells |
J Med Chem 52: 3627-35 (2009)
Article DOI: 10.1021/jm801300c
BindingDB Entry DOI: 10.7270/Q2D21ZJ5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50250590
(CHEMBL4081900)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C72H100N16O15/c1-41(2)32-51(86-71(103)61(43(5)6)87-62(94)49(73)34-47-26-28-48(89)29-27-47)63(95)79-40-59(91)88-31-17-25-57(88)70(102)85-55(37-46-22-14-9-15-23-46)68(100)81-52(33-42(3)4)66(98)83-54(36-45-20-12-8-13-21-45)67(99)84-56(38-60(92)93)69(101)80-50(24-16-30-77-72(75)76)65(97)82-53(64(96)78-39-58(74)90)35-44-18-10-7-11-19-44/h7-15,18-23,26-29,41-43,49-57,61,89H,16-17,24-25,30-40,73H2,1-6H3,(H2,74,90)(H,78,96)(H,79,95)(H,80,101)(H,81,100)(H,82,97)(H,83,98)(H,84,99)(H,85,102)(H,86,103)(H,87,94)(H,92,93)(H4,75,76,77)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,61-/m0/s1 | PDB
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The University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method |
J Med Chem 60: 9320-9329 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50268802
(Ac-Nle-c[Asp-cis-4-guanidinyl-Pro-DNal(2')-Arg-Trp...)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](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](CN2C1=O)N=C(N)N)C(N)=O |r,wU:4.4,12.11,21.81,50.52,wD:25.25,39.41,65.73,67.77,(39.57,-47.74,;38.21,-47.02,;38.16,-45.48,;36.8,-44.75,;36.75,-43.21,;38.06,-42.4,;38,-40.86,;39.31,-40.04,;36.65,-40.13,;35.39,-42.49,;35.34,-40.95,;34.08,-43.3,;32.72,-42.58,;31.42,-43.39,;31.47,-44.93,;32.83,-45.65,;30.16,-45.74,;28.8,-45.02,;27.49,-45.83,;26.13,-45.1,;24.82,-45.91,;23.47,-45.19,;23.42,-43.65,;22.06,-42.92,;20.75,-43.74,;22.01,-41.38,;20.63,-40.65,;19.18,-41.16,;17.92,-40.26,;16.69,-41.18,;17.19,-42.65,;16.46,-44,;17.25,-45.3,;18.8,-45.26,;19.52,-43.91,;18.73,-42.62,;23.31,-40.57,;24.63,-40.8,;25.96,-41.59,;23.26,-39.03,;21.9,-38.31,;21.85,-36.77,;20.5,-36.04,;20.44,-34.5,;19.08,-33.78,;19.04,-32.24,;17.77,-34.59,;24.57,-38.22,;25.93,-38.94,;25.98,-40.48,;27.24,-38.13,;27.19,-36.59,;25.83,-35.86,;24.52,-36.68,;23.17,-35.96,;23.11,-34.42,;21.76,-33.69,;21.71,-32.15,;23.02,-31.33,;24.38,-32.07,;24.43,-33.61,;25.78,-34.33,;28.59,-38.85,;29.91,-38.05,;29.86,-36.5,;31.27,-38.78,;32.35,-37.67,;33.85,-38.07,;33.84,-39.61,;31.31,-40.3,;32.67,-41.04,;33.98,-40.22,;35.07,-37.14,;34.87,-35.61,;33.45,-35.01,;36.1,-34.67,;22.16,-46,;20.8,-45.28,;22.21,-47.54,)| Show InChI InChI=1S/C54H74N16O9/c1-3-4-15-39(63-30(2)71)47(74)69-43-27-45(72)60-21-10-9-17-38(46(55)73)65-50(77)42(25-34-28-62-37-16-8-7-14-36(34)37)67-48(75)40(18-11-22-61-53(56)57)66-49(76)41(24-31-19-20-32-12-5-6-13-33(32)23-31)68-51(78)44-26-35(64-54(58)59)29-70(44)52(43)79/h5-8,12-14,16,19-20,23,28,35,38-44,62H,3-4,9-11,15,17-18,21-22,24-27,29H2,1-2H3,(H2,55,73)(H,60,72)(H,63,71)(H,65,77)(H,66,76)(H,67,75)(H,68,78)(H,69,74)(H4,56,57,61)(H4,58,59,64)/t35-,38-,39-,40-,41+,42-,43-,44-/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC1R expressed in HEK293 cells |
J Med Chem 52: 3627-35 (2009)
Article DOI: 10.1021/jm801300c
BindingDB Entry DOI: 10.7270/Q2D21ZJ5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50134948
(CHEMBL437050 | H-Tyr-Val-Met-Gly-His-Phe-Arg-Trp-A...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O Show InChI InChI=1S/C74H99N21O16S/c1-41(2)62(95-63(102)49(75)30-44-22-24-47(96)25-23-44)72(111)90-53(26-29-112-3)64(103)84-38-59(97)87-57(34-46-37-80-40-86-46)70(109)92-55(32-43-16-8-5-9-17-43)68(107)88-52(21-13-28-82-74(78)79)67(106)93-56(33-45-36-83-50-19-11-10-18-48(45)50)69(108)94-58(35-60(98)99)71(110)89-51(20-12-27-81-73(76)77)66(105)91-54(65(104)85-39-61(100)101)31-42-14-6-4-7-15-42/h4-11,14-19,22-25,36-37,40-41,49,51-58,62,83,96H,12-13,20-21,26-35,38-39,75H2,1-3H3,(H,80,86)(H,84,103)(H,85,104)(H,87,97)(H,88,107)(H,89,110)(H,90,111)(H,91,105)(H,92,109)(H,93,106)(H,94,108)(H,95,102)(H,98,99)(H,100,101)(H4,76,77,81)(H4,78,79,82)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4) |
J Med Chem 48: 1839-48 (2005)
Article DOI: 10.1021/jm049579s
BindingDB Entry DOI: 10.7270/Q2XD12F5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50115291
(CHEMBL269739 | DOTA-ReCCEHdFRWCKPV-NH2)Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(N)=O Show InChI InChI=1S/C75H111N23O20S3.O.Re/c1-42(2)60(61(77)108)91-67(114)54-18-11-23-98(54)74(118)50(16-8-9-21-76)86-69(116)72(120)92-66(113)52(33-44-35-82-47-15-7-6-14-46(44)47)88-62(109)48(17-10-22-81-75(78)79)84-64(111)51(32-43-12-4-3-5-13-43)87-65(112)53(34-45-36-80-41-83-45)89-63(110)49(19-20-56(100)101)85-68(115)73(121)93-70(117)71(119)90-55(99)37-94-24-26-95(38-57(102)103)28-30-97(40-59(106)107)31-29-96(27-25-94)39-58(104)105;;/h3-7,12-15,35-36,41-42,48-54,60,71-73,82H,8-11,16-34,37-40,76H2,1-2H3,(H24,77,78,79,80,81,83,84,85,86,87,88,89,90,91,92,93,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,119,120,121);;/q;-1;+3/p-4/t48?,49?,50?,51-,52?,53?,54?,60?,71?,72?,73?;;/m0../s1 | KEGG
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University of Missouri-Columbia
Curated by ChEMBL
| Assay Description
In vitro binding affinity for the melanoma receptor was determined in the murine melanoma B16/F1 cell line |
J Med Chem 45: 3048-56 (2002)
BindingDB Entry DOI: 10.7270/Q2WQ034Z |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50250585
(CHEMBL4104092)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C74H100N22O15S/c1-41(2)62(96-63(102)49(75)30-44-22-24-47(97)25-23-44)72(111)91-53(26-29-112-3)64(103)86-39-60(99)88-57(34-46-37-81-40-87-46)70(109)93-55(32-43-16-8-5-9-17-43)68(107)89-52(21-13-28-83-74(79)80)67(106)94-56(33-45-36-84-50-19-11-10-18-48(45)50)69(108)95-58(35-61(100)101)71(110)90-51(20-12-27-82-73(77)78)66(105)92-54(65(104)85-38-59(76)98)31-42-14-6-4-7-15-42/h4-11,14-19,22-25,36-37,40-41,49,51-58,62,84,97H,12-13,20-21,26-35,38-39,75H2,1-3H3,(H2,76,98)(H,81,87)(H,85,104)(H,86,103)(H,88,99)(H,89,107)(H,90,110)(H,91,111)(H,92,105)(H,93,109)(H,94,106)(H,95,108)(H,96,102)(H,100,101)(H4,77,78,82)(H4,79,80,83)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1 | PDB
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The University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method |
J Med Chem 60: 9320-9329 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB |
More data for this
Ligand-Target Pair | |
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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University of Naples "Federico II"
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method |
J Med Chem 61: 4263-4269 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7 |
More data for this
Ligand-Target Pair | |
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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Universit£ di Napoli Federico II
Curated by ChEMBL
| Assay Description
Displacement of 125I-labeled [Nle4,DPhe7]-alpha-MSH from human melanocortin 1 receptor expressed in HEK293 cells incubated for 40 mins by gamma count... |
J Med Chem 58: 9773-8 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01285
BindingDB Entry DOI: 10.7270/Q24Q7Z0B |
More data for this
Ligand-Target Pair | |
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