Found 65 hits with Last Name = 'morse' and Initial = 'dl' 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 |
|---|
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492970
(CHEMBL2415082)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCCCN=[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](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/C82H118N24O19/c1-4-5-21-55(97-79(123)64(45-108)103-76(120)60(38-49-27-29-52(109)30-28-49)100-78(122)63(44-107)95-66(110)26-10-7-15-35-93-105-87)72(116)98-57(31-32-68(112)113)74(118)102-62(40-51-42-88-46-92-51)77(121)99-59(37-48-18-8-6-9-19-48)75(119)96-56(24-16-34-89-82(85)86)73(117)101-61(39-50-41-90-54-22-12-11-20-53(50)54)71(115)91-43-67(111)94-58(23-13-14-33-83)81(125)106-36-17-25-65(106)80(124)104-69(47(2)3)70(84)114/h6,8-9,11-12,18-20,22,27-30,41-42,46-47,55-65,69,90,107-109H,4-5,7,10,13-17,21,23-26,31-40,43-45,83H2,1-3H3,(H2,84,114)(H,88,92)(H,91,115)(H,94,111)(H,95,110)(H,96,119)(H,97,123)(H,98,116)(H,99,121)(H,100,122)(H,101,117)(H,102,118)(H,103,120)(H,104,124)(H,112,113)(H4,85,86,89)/t55-,56-,57-,58-,59+,60-,61-,62-,63-,64-,65-,69-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGO-NDP-alpha-MSH-NH2 from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50358559
(CHEMBL1923662)Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:11.19,7.7,22.30,wD:44.46,(13.28,5.22,;14.61,4.46,;15.94,5.22,;14.61,2.91,;13.27,2.14,;13.27,.61,;11.94,-.17,;11.94,-1.7,;10.61,-2.47,;9.27,-1.7,;9.27,-.16,;7.94,-2.47,;7.94,-4.01,;9.26,-4.78,;10.6,-4.01,;11.93,-4.79,;11.93,-6.33,;10.59,-7.09,;9.26,-6.32,;6.6,-1.7,;5.27,-2.47,;5.27,-4,;3.93,-1.69,;3.93,-.15,;5.27,.62,;6.74,.15,;7.63,1.42,;6.71,2.65,;5.25,2.15,;2.6,-2.46,;1.27,-1.7,;1.27,-.16,;-.06,-2.47,;-1.4,-1.7,;-2.73,-2.47,;-4.07,-1.7,;-4.07,-.16,;-5.39,.6,;-6.73,-.17,;-6.73,-1.72,;-5.38,-2.48,;13.27,-2.47,;13.27,-4.02,;14.6,-1.71,;15.94,-2.48,;15.94,-4.02,;17.27,-4.78,;18.52,-3.89,;19.76,-4.8,;19.28,-6.27,;20.04,-7.6,;19.27,-8.93,;17.73,-8.92,;16.96,-7.59,;17.74,-6.26,;17.27,-1.7,;18.61,-2.48,;17.27,-.17,)| Show InChI InChI=1S/C42H51N11O5/c43-38(55)34(22-29-24-48-32-17-8-7-16-31(29)32)52-39(56)33(18-10-20-47-42(44)45)51-40(57)35(21-28-13-5-2-6-14-28)53-41(58)36(23-30-25-46-26-49-30)50-37(54)19-9-15-27-11-3-1-4-12-27/h1-8,11-14,16-17,24-26,33-36,48H,9-10,15,18-23H2,(H2,43,55)(H,46,49)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,44,45,47)/t33-,34-,35+,36-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC1 receptor expressed in human HCT116 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50358561
(CHEMBL1923664)Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC#C)C(N)=O |r,wU:22.30,11.19,7.7,wD:44.46,62.66,(14.73,6.99,;16.06,6.21,;17.4,6.98,;16.06,4.67,;14.72,3.9,;14.72,2.37,;13.39,1.59,;13.39,.06,;12.05,-.71,;10.71,.06,;10.71,1.6,;9.39,-.7,;9.39,-2.25,;10.71,-3.02,;12.05,-2.25,;13.38,-3.03,;13.38,-4.57,;12.04,-5.33,;10.71,-4.56,;8.05,.06,;6.72,-.7,;6.72,-2.24,;5.38,.06,;5.38,1.61,;6.72,2.38,;8.2,1.91,;9.08,3.17,;8.16,4.41,;6.7,3.91,;4.05,-.7,;2.72,.06,;2.71,1.6,;1.38,-.71,;.05,.06,;-1.29,-.71,;-2.61,.05,;-2.62,1.59,;-3.94,2.37,;-5.28,1.59,;-5.28,.04,;-3.93,-.72,;14.72,-.71,;14.72,-2.26,;16.06,.05,;17.39,-.72,;17.39,-2.26,;18.71,-3.03,;19.97,-2.13,;21.21,-3.05,;20.73,-4.51,;21.49,-5.84,;20.72,-7.18,;19.18,-7.17,;18.41,-5.83,;19.19,-4.5,;18.71,.05,;18.71,1.59,;20.06,-.72,;21.39,.05,;22.73,-.71,;22.73,-2.25,;24.06,.05,;25.4,-.71,;25.4,-2.25,;26.73,-3.02,;26.73,-4.56,;28.07,-5.33,;28.07,-6.87,;26.74,-7.64,;25.4,-6.87,;26.74,-9.18,;25.4,-9.95,;25.4,-11.49,;24.07,-12.27,;22.73,-13.02,;26.73,.06,;28.06,-.71,;26.73,1.6,)| Show InChI InChI=1S/C56H72N14O8/c1-2-3-6-26-48(71)61-28-14-13-24-43(51(57)74)66-50(73)35-64-52(75)46(31-39-33-63-42-23-12-11-22-41(39)42)70-53(76)44(25-16-29-62-56(58)59)68-54(77)45(30-38-19-9-5-10-20-38)69-55(78)47(32-40-34-60-36-65-40)67-49(72)27-15-21-37-17-7-4-8-18-37/h1,4-5,7-12,17-20,22-23,33-34,36,43-47,63H,3,6,13-16,21,24-32,35H2,(H2,57,74)(H,60,65)(H,61,71)(H,64,75)(H,66,73)(H,67,72)(H,68,77)(H,69,78)(H,70,76)(H4,58,59,62)/t43-,44-,45+,46-,47-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC1 receptor expressed in human HCT116 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50358564
(CHEMBL1923667)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](CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)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:12.12,4.4,32.32,42.43,57.60,68.71,79.83,98.102,wD:8.8,87.91,(2.8,4.52,;1.47,3.75,;1.47,2.22,;.14,1.44,;.14,-.09,;-1.2,-.87,;-2.53,-.09,;-2.53,1.44,;-3.86,-.87,;-5.19,-.09,;-6.53,-.87,;-6.53,-2.4,;-7.86,-.09,;-9.2,-.87,;-7.86,1.44,;-6.53,2.22,;-5.19,1.44,;-3.86,2.22,;-3.86,3.75,;-2.53,4.53,;-5.19,4.53,;-6.53,3.75,;-3.86,-2.4,;-2.53,-3.18,;-5.19,-3.18,;1.47,-.87,;1.47,-2.4,;2.8,-.09,;4.13,-.87,;5.46,-.09,;5.46,1.44,;6.8,-.87,;8.13,-.09,;8.13,1.44,;9.46,2.22,;10.94,1.76,;11.83,3.01,;10.9,4.25,;9.45,3.76,;9.46,-.87,;9.46,-2.4,;10.79,-.09,;12.13,-.87,;12.13,-2.4,;11.36,-3.72,;9.83,-3.7,;9.05,-5.02,;9.81,-6.35,;9.03,-7.67,;9.79,-9.01,;11.34,-9.01,;12.1,-7.68,;11.34,-6.36,;12.11,-5.04,;13.47,-.09,;13.47,1.44,;14.8,-.87,;16.13,-.09,;16.13,1.44,;17.47,2.22,;17.47,3.75,;18.8,4.53,;18.8,6.06,;17.47,6.83,;20.13,6.83,;17.47,-.87,;17.47,-2.4,;18.8,-.09,;20.13,-.87,;20.13,-2.4,;21.46,-3.18,;22.8,-2.4,;24.13,-3.18,;24.13,-4.71,;22.8,-5.48,;21.46,-4.71,;21.46,-.09,;21.46,1.44,;22.8,-.87,;24.13,-.09,;24.13,1.44,;25.46,2.22,;26.79,1.44,;25.46,3.75,;25.46,-.87,;25.46,-2.4,;26.79,-.09,;28.13,-.87,;28.13,-2.4,;29.46,-3.18,;29.46,-4.71,;30.79,-5.48,;30.79,-7.02,;29.46,-7.79,;32.12,-7.79,;29.46,-.09,;29.46,1.44,;30.79,-.87,;32.12,-.09,;32.12,1.44,;33.45,2.22,;34.79,1.44,;36.12,2.22,;36.12,3.75,;34.79,4.53,;33.45,3.75,;33.45,-.87,;33.45,-2.4,;34.79,-.09,;36.12,-.87,;37.46,-.09,;38.79,-.87,;37.46,1.44,)| Show InChI InChI=1S/C77H103N21O15/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)88-42-63(101)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(82)83)70(108)95-58(36-46-18-10-7-11-19-46)72(110)97-61(39-64(102)103)74(112)92-55(23-14-31-85-76(80)81)69(107)94-57(68(106)87-41-62(79)100)35-45-16-8-6-9-17-45/h6-13,16-21,25-30,33,40,43-44,53-61,65,99H,4-5,14-15,22-24,31-32,34-39,41-42,78H2,1-3H3,(H2,79,100)(H,84,89)(H,87,106)(H,88,105)(H,90,101)(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,102,103)(H4,80,81,85)(H4,82,83,86)/t53-,54-,55-,56-,57-,58+,59+,60-,61-,65-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50358562
(CHEMBL1923665)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](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:8.8,90.95,wD:12.12,4.4,32.32,42.43,57.60,68.71,82.87,101.106,(4.17,-29.27,;2.84,-28.5,;2.84,-26.97,;1.5,-26.19,;1.5,-24.66,;.18,-23.88,;-1.16,-24.65,;-1.16,-26.2,;-2.5,-23.89,;-3.83,-24.66,;-5.16,-23.89,;-5.16,-22.35,;-6.5,-24.66,;-7.83,-23.89,;-6.5,-26.2,;-5.16,-26.97,;-3.83,-26.2,;-2.49,-26.96,;-2.49,-28.5,;-1.15,-29.27,;-3.83,-29.28,;-5.16,-28.51,;-2.5,-22.34,;-1.16,-21.57,;-3.83,-21.58,;2.84,-23.88,;2.84,-22.34,;4.17,-24.65,;5.51,-23.88,;6.84,-24.65,;6.84,-26.18,;8.17,-23.87,;9.5,-24.64,;9.5,-26.18,;10.84,-26.95,;12.31,-26.46,;13.22,-27.7,;12.32,-28.96,;10.85,-28.49,;10.84,-23.87,;10.84,-22.33,;12.18,-24.64,;13.51,-23.87,;13.51,-22.33,;14.27,-20.99,;13.48,-19.67,;14.23,-18.33,;15.78,-18.31,;16.53,-16.98,;18.07,-16.95,;18.86,-18.28,;18.1,-19.62,;16.56,-19.64,;15.81,-20.98,;14.84,-24.64,;14.84,-26.18,;16.17,-23.87,;17.51,-24.63,;17.51,-26.17,;18.85,-26.94,;18.85,-28.48,;20.18,-29.25,;20.18,-30.79,;18.85,-31.55,;21.52,-31.56,;18.85,-23.86,;18.85,-22.32,;20.18,-24.63,;21.51,-23.86,;21.51,-22.31,;22.84,-21.55,;24.09,-22.45,;25.34,-21.55,;24.86,-20.08,;25.63,-18.74,;24.86,-17.41,;23.32,-17.41,;22.55,-18.75,;23.32,-20.08,;22.84,-24.62,;22.84,-26.16,;24.18,-23.85,;25.51,-24.62,;25.51,-26.16,;26.85,-26.94,;28.18,-26.16,;26.85,-28.47,;26.85,-23.85,;26.85,-22.31,;28.18,-24.62,;29.52,-23.85,;29.52,-22.3,;30.85,-21.54,;30.85,-19.99,;32.18,-19.22,;32.18,-17.68,;30.84,-16.91,;33.51,-16.91,;30.85,-24.62,;30.85,-26.15,;32.19,-23.84,;33.51,-24.61,;33.51,-26.15,;34.85,-26.92,;36.18,-26.15,;37.52,-26.92,;37.52,-28.46,;36.19,-29.23,;34.86,-28.46,;34.85,-23.84,;34.85,-22.29,;36.19,-24.61,;37.52,-23.83,;38.85,-24.61,;40.19,-23.84,;38.85,-26.15,)| 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
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50358562
(CHEMBL1923665)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](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:8.8,90.95,wD:12.12,4.4,32.32,42.43,57.60,68.71,82.87,101.106,(4.17,-29.27,;2.84,-28.5,;2.84,-26.97,;1.5,-26.19,;1.5,-24.66,;.18,-23.88,;-1.16,-24.65,;-1.16,-26.2,;-2.5,-23.89,;-3.83,-24.66,;-5.16,-23.89,;-5.16,-22.35,;-6.5,-24.66,;-7.83,-23.89,;-6.5,-26.2,;-5.16,-26.97,;-3.83,-26.2,;-2.49,-26.96,;-2.49,-28.5,;-1.15,-29.27,;-3.83,-29.28,;-5.16,-28.51,;-2.5,-22.34,;-1.16,-21.57,;-3.83,-21.58,;2.84,-23.88,;2.84,-22.34,;4.17,-24.65,;5.51,-23.88,;6.84,-24.65,;6.84,-26.18,;8.17,-23.87,;9.5,-24.64,;9.5,-26.18,;10.84,-26.95,;12.31,-26.46,;13.22,-27.7,;12.32,-28.96,;10.85,-28.49,;10.84,-23.87,;10.84,-22.33,;12.18,-24.64,;13.51,-23.87,;13.51,-22.33,;14.27,-20.99,;13.48,-19.67,;14.23,-18.33,;15.78,-18.31,;16.53,-16.98,;18.07,-16.95,;18.86,-18.28,;18.1,-19.62,;16.56,-19.64,;15.81,-20.98,;14.84,-24.64,;14.84,-26.18,;16.17,-23.87,;17.51,-24.63,;17.51,-26.17,;18.85,-26.94,;18.85,-28.48,;20.18,-29.25,;20.18,-30.79,;18.85,-31.55,;21.52,-31.56,;18.85,-23.86,;18.85,-22.32,;20.18,-24.63,;21.51,-23.86,;21.51,-22.31,;22.84,-21.55,;24.09,-22.45,;25.34,-21.55,;24.86,-20.08,;25.63,-18.74,;24.86,-17.41,;23.32,-17.41,;22.55,-18.75,;23.32,-20.08,;22.84,-24.62,;22.84,-26.16,;24.18,-23.85,;25.51,-24.62,;25.51,-26.16,;26.85,-26.94,;28.18,-26.16,;26.85,-28.47,;26.85,-23.85,;26.85,-22.31,;28.18,-24.62,;29.52,-23.85,;29.52,-22.3,;30.85,-21.54,;30.85,-19.99,;32.18,-19.22,;32.18,-17.68,;30.84,-16.91,;33.51,-16.91,;30.85,-24.62,;30.85,-26.15,;32.19,-23.84,;33.51,-24.61,;33.51,-26.15,;34.85,-26.92,;36.18,-26.15,;37.52,-26.92,;37.52,-28.46,;36.19,-29.23,;34.86,-28.46,;34.85,-23.84,;34.85,-22.29,;36.19,-24.61,;37.52,-23.83,;38.85,-24.61,;40.19,-23.84,;38.85,-26.15,)| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50358564
(CHEMBL1923667)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](CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)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:12.12,4.4,32.32,42.43,57.60,68.71,79.83,98.102,wD:8.8,87.91,(2.8,4.52,;1.47,3.75,;1.47,2.22,;.14,1.44,;.14,-.09,;-1.2,-.87,;-2.53,-.09,;-2.53,1.44,;-3.86,-.87,;-5.19,-.09,;-6.53,-.87,;-6.53,-2.4,;-7.86,-.09,;-9.2,-.87,;-7.86,1.44,;-6.53,2.22,;-5.19,1.44,;-3.86,2.22,;-3.86,3.75,;-2.53,4.53,;-5.19,4.53,;-6.53,3.75,;-3.86,-2.4,;-2.53,-3.18,;-5.19,-3.18,;1.47,-.87,;1.47,-2.4,;2.8,-.09,;4.13,-.87,;5.46,-.09,;5.46,1.44,;6.8,-.87,;8.13,-.09,;8.13,1.44,;9.46,2.22,;10.94,1.76,;11.83,3.01,;10.9,4.25,;9.45,3.76,;9.46,-.87,;9.46,-2.4,;10.79,-.09,;12.13,-.87,;12.13,-2.4,;11.36,-3.72,;9.83,-3.7,;9.05,-5.02,;9.81,-6.35,;9.03,-7.67,;9.79,-9.01,;11.34,-9.01,;12.1,-7.68,;11.34,-6.36,;12.11,-5.04,;13.47,-.09,;13.47,1.44,;14.8,-.87,;16.13,-.09,;16.13,1.44,;17.47,2.22,;17.47,3.75,;18.8,4.53,;18.8,6.06,;17.47,6.83,;20.13,6.83,;17.47,-.87,;17.47,-2.4,;18.8,-.09,;20.13,-.87,;20.13,-2.4,;21.46,-3.18,;22.8,-2.4,;24.13,-3.18,;24.13,-4.71,;22.8,-5.48,;21.46,-4.71,;21.46,-.09,;21.46,1.44,;22.8,-.87,;24.13,-.09,;24.13,1.44,;25.46,2.22,;26.79,1.44,;25.46,3.75,;25.46,-.87,;25.46,-2.4,;26.79,-.09,;28.13,-.87,;28.13,-2.4,;29.46,-3.18,;29.46,-4.71,;30.79,-5.48,;30.79,-7.02,;29.46,-7.79,;32.12,-7.79,;29.46,-.09,;29.46,1.44,;30.79,-.87,;32.12,-.09,;32.12,1.44,;33.45,2.22,;34.79,1.44,;36.12,2.22,;36.12,3.75,;34.79,4.53,;33.45,3.75,;33.45,-.87,;33.45,-2.4,;34.79,-.09,;36.12,-.87,;37.46,-.09,;38.79,-.87,;37.46,1.44,)| Show InChI InChI=1S/C77H103N21O15/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)88-42-63(101)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(82)83)70(108)95-58(36-46-18-10-7-11-19-46)72(110)97-61(39-64(102)103)74(112)92-55(23-14-31-85-76(80)81)69(107)94-57(68(106)87-41-62(79)100)35-45-16-8-6-9-17-45/h6-13,16-21,25-30,33,40,43-44,53-61,65,99H,4-5,14-15,22-24,31-32,34-39,41-42,78H2,1-3H3,(H2,79,100)(H,84,89)(H,87,106)(H,88,105)(H,90,101)(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,102,103)(H4,80,81,85)(H4,82,83,86)/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
Similars
| Article
PubMed
| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50358563
(CHEMBL1923666)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCNC(=O)CCCC#C)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)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 |r,wU:8.8,106.111,24.25,wD:12.21,4.4,48.48,58.59,73.76,84.87,98.103,117.122,(7.4,-50.38,;6.07,-49.61,;6.07,-48.07,;4.73,-47.3,;4.73,-45.77,;3.4,-44.99,;2.06,-45.76,;2.06,-47.31,;.73,-45,;-.6,-45.77,;-1.93,-45,;-1.93,-43.46,;-3.27,-45.77,;-3.27,-47.31,;-1.93,-48.08,;-.6,-47.3,;.73,-48.07,;.74,-49.61,;2.07,-50.38,;-.6,-50.38,;-1.94,-49.62,;-4.6,-45,;-5.94,-45.77,;-5.94,-47.31,;-7.27,-45,;-8.61,-45.77,;-7.27,-43.47,;-5.94,-42.7,;-5.94,-41.15,;-4.61,-40.38,;-4.61,-38.84,;-3.27,-38.07,;-3.27,-36.53,;-1.94,-38.84,;-.61,-38.07,;.73,-38.84,;2.06,-38.07,;3.38,-37.29,;.73,-43.45,;2.06,-42.68,;-.6,-42.69,;6.07,-44.99,;6.07,-43.45,;7.4,-45.76,;8.73,-44.99,;10.07,-45.76,;10.07,-47.29,;11.4,-44.98,;12.73,-45.75,;12.73,-47.29,;14.07,-48.06,;15.54,-47.57,;16.45,-48.81,;15.55,-50.07,;14.08,-49.6,;14.07,-44.98,;14.07,-43.44,;15.41,-45.75,;16.74,-44.98,;16.74,-43.44,;17.5,-42.1,;16.72,-40.78,;17.46,-39.44,;19.01,-39.42,;19.76,-38.08,;21.3,-38.06,;22.09,-39.39,;21.33,-40.73,;19.79,-40.75,;19.04,-42.09,;18.07,-45.75,;18.07,-47.28,;19.4,-44.98,;20.74,-45.74,;20.74,-47.28,;22.08,-48.05,;22.08,-49.59,;23.41,-50.36,;23.41,-51.89,;22.08,-52.66,;24.75,-52.67,;22.08,-44.97,;22.08,-43.43,;23.41,-45.74,;24.74,-44.97,;24.74,-43.42,;26.07,-42.65,;27.32,-43.56,;28.57,-42.65,;28.09,-41.19,;28.86,-39.85,;28.09,-38.52,;26.55,-38.52,;25.78,-39.86,;26.55,-41.19,;26.07,-45.73,;26.07,-47.27,;27.41,-44.96,;28.74,-45.73,;28.74,-47.27,;30.08,-48.04,;31.41,-47.27,;30.08,-49.58,;30.08,-44.96,;30.08,-43.42,;31.41,-45.73,;32.75,-44.96,;32.75,-43.41,;34.08,-42.65,;34.08,-41.1,;35.41,-40.33,;35.41,-38.79,;34.07,-38.01,;36.74,-38.02,;34.08,-45.73,;34.08,-47.26,;35.42,-44.95,;36.74,-45.72,;36.74,-47.26,;38.09,-48.03,;39.42,-47.26,;40.75,-48.03,;40.76,-49.57,;39.42,-50.34,;38.09,-49.56,;38.09,-44.95,;38.09,-43.4,;39.42,-45.72,;40.75,-44.94,;42.08,-45.72,;43.42,-44.95,;42.08,-47.25,)| Show InChI InChI=1S/C91H122N24O17/c1-5-7-10-31-75(118)99-38-18-17-26-63(92)79(122)110-69(43-55-33-36-61(116)37-34-55)88(131)115-78(53(3)4)89(132)109-65(27-8-6-2)80(123)104-51-76(119)106-72(46-60-49-98-52-105-60)86(129)112-70(44-56-32-35-57-23-13-14-24-58(57)41-56)84(127)107-67(30-20-40-101-91(96)97)83(126)113-71(45-59-48-102-64-28-16-15-25-62(59)64)85(128)114-73(47-77(120)121)87(130)108-66(29-19-39-100-90(94)95)82(125)111-68(81(124)103-50-74(93)117)42-54-21-11-9-12-22-54/h1,9,11-16,21-25,28,32-37,41,48-49,52-53,63,65-73,78,102,116H,6-8,10,17-20,26-27,29-31,38-40,42-47,50-51,92H2,2-4H3,(H2,93,117)(H,98,105)(H,99,118)(H,103,124)(H,104,123)(H,106,119)(H,107,127)(H,108,130)(H,109,132)(H,110,122)(H,111,125)(H,112,129)(H,113,126)(H,114,128)(H,115,131)(H,120,121)(H4,94,95,100)(H4,96,97,101)/t63-,65-,66-,67-,68-,69-,70+,71+,72-,73-,78-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492969
(CHEMBL2415084)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCCCn1cc(CCCCOC(CCC(C)C(O)CCC(C)C(O)CCC(OCCCCc2cn(CCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C(C)C)C(N)=O)nn2)C(C)CCC(O)C(C)CCC(O)C(C)C)C(C)C)nn1)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/C206H314N48O44/c1-15-17-55-145(185(277)233-149(79-87-177(269)270)189(281)241-159(105-137-109-215-119-223-137)195(287)235-153(99-129-47-23-19-24-48-129)191(283)229-147(61-43-91-217-205(211)212)187(279)239-157(103-133-107-219-143-57-31-29-53-141(133)143)183(275)221-111-175(267)225-151(59-33-37-89-207)203(295)253-95-45-63-165(253)201(293)245-179(123(7)8)181(209)273)231-199(291)163(117-257)243-193(285)155(101-131-71-75-139(259)76-72-131)237-197(289)161(115-255)227-173(265)65-27-21-39-93-251-113-135(247-249-251)51-35-41-97-297-171(122(5)6)85-70-127(13)168(262)82-68-126(12)170(264)84-86-172(128(14)69-83-169(263)125(11)67-81-167(261)121(3)4)298-98-42-36-52-136-114-252(250-248-136)94-40-22-28-66-174(266)228-162(116-256)198(290)238-156(102-132-73-77-140(260)78-74-132)194(286)244-164(118-258)200(292)232-146(56-18-16-2)186(278)234-150(80-88-178(271)272)190(282)242-160(106-138-110-216-120-224-138)196(288)236-154(100-130-49-25-20-26-50-130)192(284)230-148(62-44-92-218-206(213)214)188(280)240-158(104-134-108-220-144-58-32-30-54-142(134)144)184(276)222-112-176(268)226-152(60-34-38-90-208)204(296)254-96-46-64-166(254)202(294)246-180(124(9)10)182(210)274/h19-20,23-26,29-32,47-50,53-54,57-58,71-78,107-110,113-114,119-128,145-172,179-180,219-220,255-264H,15-18,21-22,27-28,33-46,51-52,55-56,59-70,79-106,111-112,115-118,207-208H2,1-14H3,(H2,209,273)(H2,210,274)(H,215,223)(H,216,224)(H,221,275)(H,222,276)(H,225,267)(H,226,268)(H,227,265)(H,228,266)(H,229,283)(H,230,284)(H,231,291)(H,232,292)(H,233,277)(H,234,278)(H,235,287)(H,236,288)(H,237,289)(H,238,290)(H,239,279)(H,240,280)(H,241,281)(H,242,282)(H,243,285)(H,244,286)(H,245,293)(H,246,294)(H,269,270)(H,271,272)(H4,211,212,217)(H4,213,214,218)/t125?,126?,127?,128?,145-,146-,147-,148-,149-,150-,151-,152-,153+,154+,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167?,168?,169?,170?,171?,172?,179-,180-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGOMSH(7) from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50358563
(CHEMBL1923666)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCNC(=O)CCCC#C)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)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 |r,wU:8.8,106.111,24.25,wD:12.21,4.4,48.48,58.59,73.76,84.87,98.103,117.122,(7.4,-50.38,;6.07,-49.61,;6.07,-48.07,;4.73,-47.3,;4.73,-45.77,;3.4,-44.99,;2.06,-45.76,;2.06,-47.31,;.73,-45,;-.6,-45.77,;-1.93,-45,;-1.93,-43.46,;-3.27,-45.77,;-3.27,-47.31,;-1.93,-48.08,;-.6,-47.3,;.73,-48.07,;.74,-49.61,;2.07,-50.38,;-.6,-50.38,;-1.94,-49.62,;-4.6,-45,;-5.94,-45.77,;-5.94,-47.31,;-7.27,-45,;-8.61,-45.77,;-7.27,-43.47,;-5.94,-42.7,;-5.94,-41.15,;-4.61,-40.38,;-4.61,-38.84,;-3.27,-38.07,;-3.27,-36.53,;-1.94,-38.84,;-.61,-38.07,;.73,-38.84,;2.06,-38.07,;3.38,-37.29,;.73,-43.45,;2.06,-42.68,;-.6,-42.69,;6.07,-44.99,;6.07,-43.45,;7.4,-45.76,;8.73,-44.99,;10.07,-45.76,;10.07,-47.29,;11.4,-44.98,;12.73,-45.75,;12.73,-47.29,;14.07,-48.06,;15.54,-47.57,;16.45,-48.81,;15.55,-50.07,;14.08,-49.6,;14.07,-44.98,;14.07,-43.44,;15.41,-45.75,;16.74,-44.98,;16.74,-43.44,;17.5,-42.1,;16.72,-40.78,;17.46,-39.44,;19.01,-39.42,;19.76,-38.08,;21.3,-38.06,;22.09,-39.39,;21.33,-40.73,;19.79,-40.75,;19.04,-42.09,;18.07,-45.75,;18.07,-47.28,;19.4,-44.98,;20.74,-45.74,;20.74,-47.28,;22.08,-48.05,;22.08,-49.59,;23.41,-50.36,;23.41,-51.89,;22.08,-52.66,;24.75,-52.67,;22.08,-44.97,;22.08,-43.43,;23.41,-45.74,;24.74,-44.97,;24.74,-43.42,;26.07,-42.65,;27.32,-43.56,;28.57,-42.65,;28.09,-41.19,;28.86,-39.85,;28.09,-38.52,;26.55,-38.52,;25.78,-39.86,;26.55,-41.19,;26.07,-45.73,;26.07,-47.27,;27.41,-44.96,;28.74,-45.73,;28.74,-47.27,;30.08,-48.04,;31.41,-47.27,;30.08,-49.58,;30.08,-44.96,;30.08,-43.42,;31.41,-45.73,;32.75,-44.96,;32.75,-43.41,;34.08,-42.65,;34.08,-41.1,;35.41,-40.33,;35.41,-38.79,;34.07,-38.01,;36.74,-38.02,;34.08,-45.73,;34.08,-47.26,;35.42,-44.95,;36.74,-45.72,;36.74,-47.26,;38.09,-48.03,;39.42,-47.26,;40.75,-48.03,;40.76,-49.57,;39.42,-50.34,;38.09,-49.56,;38.09,-44.95,;38.09,-43.4,;39.42,-45.72,;40.75,-44.94,;42.08,-45.72,;43.42,-44.95,;42.08,-47.25,)| Show InChI InChI=1S/C91H122N24O17/c1-5-7-10-31-75(118)99-38-18-17-26-63(92)79(122)110-69(43-55-33-36-61(116)37-34-55)88(131)115-78(53(3)4)89(132)109-65(27-8-6-2)80(123)104-51-76(119)106-72(46-60-49-98-52-105-60)86(129)112-70(44-56-32-35-57-23-13-14-24-58(57)41-56)84(127)107-67(30-20-40-101-91(96)97)83(126)113-71(45-59-48-102-64-28-16-15-25-62(59)64)85(128)114-73(47-77(120)121)87(130)108-66(29-19-39-100-90(94)95)82(125)111-68(81(124)103-50-74(93)117)42-54-21-11-9-12-22-54/h1,9,11-16,21-25,28,32-37,41,48-49,52-53,63,65-73,78,102,116H,6-8,10,17-20,26-27,29-31,38-40,42-47,50-51,92H2,2-4H3,(H2,93,117)(H,98,105)(H,99,118)(H,103,124)(H,104,123)(H,106,119)(H,107,127)(H,108,130)(H,109,132)(H,110,122)(H,111,125)(H,112,129)(H,113,126)(H,114,128)(H,115,131)(H,120,121)(H4,94,95,100)(H4,96,97,101)/t63-,65-,66-,67-,68-,69-,70+,71+,72-,73-,78-/m0/s1 | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492971
(CHEMBL2415081)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCn1cc(CCCCOC(CCC(C)C(O)CCC(C)C(O)CCC(OCCCCc2cn(CCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)nn2)C(C)CCC(O)C(C)CCC(O)C(C)C)C(C)C)nn1)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(N)=O |r| Show InChI InChI=1S/C146H224N34O28/c1-11-13-45-107(133(195)167-111(57-65-129(189)190)137(199)173-117(77-101-81-153-87-159-101)141(203)171-115(73-95-37-19-15-20-38-95)139(201)163-109(49-35-67-155-145(149)150)135(197)169-113(131(147)193)75-97-79-157-105-47-27-25-43-103(97)105)165-143(205)119(85-181)161-127(187)51-23-17-31-69-179-83-99(175-177-179)41-29-33-71-207-125(90(5)6)63-56-93(9)122(184)60-54-92(8)124(186)62-64-126(94(10)55-61-123(185)91(7)53-59-121(183)89(3)4)208-72-34-30-42-100-84-180(178-176-100)70-32-18-24-52-128(188)162-120(86-182)144(206)166-108(46-14-12-2)134(196)168-112(58-66-130(191)192)138(200)174-118(78-102-82-154-88-160-102)142(204)172-116(74-96-39-21-16-22-40-96)140(202)164-110(50-36-68-156-146(151)152)136(198)170-114(132(148)194)76-98-80-158-106-48-28-26-44-104(98)106/h15-16,19-22,25-28,37-40,43-44,47-48,79-84,87-94,107-126,157-158,181-186H,11-14,17-18,23-24,29-36,41-42,45-46,49-78,85-86H2,1-10H3,(H2,147,193)(H2,148,194)(H,153,159)(H,154,160)(H,161,187)(H,162,188)(H,163,201)(H,164,202)(H,165,205)(H,166,206)(H,167,195)(H,168,196)(H,169,197)(H,170,198)(H,171,203)(H,172,204)(H,173,199)(H,174,200)(H,189,190)(H,191,192)(H4,149,150,155)(H4,151,152,156)/t91?,92?,93?,94?,107-,108-,109-,110-,111-,112-,113-,114-,115+,116+,117-,118-,119-,120-,121?,122?,123?,124?,125?,126?/m0/s1 | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGOMSH(7) from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492975
(CHEMBL2415019)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCn1cc(CCCC)nn1)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(N)=O |r| Show InChI InChI=1S/C58H83N17O11/c1-3-5-18-38-33-75(74-73-38)27-14-8-11-23-49(77)66-48(34-76)57(86)68-42(20-6-4-2)52(81)69-44(24-25-50(78)79)54(83)72-47(30-39-32-62-35-65-39)56(85)71-46(28-36-16-9-7-10-17-36)55(84)67-43(22-15-26-63-58(60)61)53(82)70-45(51(59)80)29-37-31-64-41-21-13-12-19-40(37)41/h7,9-10,12-13,16-17,19,21,31-33,35,42-48,64,76H,3-6,8,11,14-15,18,20,22-30,34H2,1-2H3,(H2,59,80)(H,62,65)(H,66,77)(H,67,84)(H,68,86)(H,69,81)(H,70,82)(H,71,85)(H,72,83)(H,78,79)(H4,60,61,63)/t42-,43-,44-,45-,46+,47-,48-/m0/s1 | PDB
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| Article
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGOMSH(7) from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50358560
(CHEMBL1923663)Show SMILES CC(=O)N[C@@H](CCc1ccccc1)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(N)=O |r,wU:26.27,37.39,16.16,wD:48.50,4.3,(-5.47,-21.29,;-4.14,-22.06,;-4.14,-23.6,;-2.81,-21.28,;-1.47,-22.05,;-1.47,-23.59,;-.13,-24.36,;-.13,-25.9,;-1.46,-26.66,;-1.46,-28.2,;-.12,-28.97,;1.21,-28.19,;1.2,-26.66,;-.14,-21.28,;-.14,-19.74,;1.2,-22.05,;2.52,-21.28,;2.52,-19.74,;3.86,-18.96,;5.34,-19.43,;6.22,-18.17,;5.3,-16.94,;3.84,-17.43,;3.86,-22.05,;3.86,-23.59,;5.19,-21.28,;6.53,-22.05,;6.53,-23.59,;7.86,-24.36,;9.19,-23.6,;10.53,-24.37,;10.52,-25.91,;9.19,-26.68,;7.85,-25.91,;7.86,-21.28,;7.86,-19.75,;9.2,-22.05,;10.53,-21.29,;10.53,-19.75,;11.86,-18.98,;11.86,-17.44,;13.2,-16.67,;13.2,-15.13,;11.87,-14.36,;14.54,-14.36,;11.86,-22.06,;11.86,-23.6,;13.19,-21.29,;14.53,-22.06,;14.53,-23.6,;15.86,-24.37,;17.11,-23.48,;18.35,-24.39,;17.87,-25.85,;18.64,-27.18,;17.86,-28.52,;16.32,-28.51,;15.55,-27.17,;16.33,-25.84,;15.86,-21.29,;17.2,-22.06,;15.86,-19.75,)| Show InChI InChI=1S/C44H54N12O6/c1-27(57)52-35(19-18-28-11-4-2-5-12-28)41(60)56-38(23-31-25-48-26-51-31)43(62)55-37(21-29-13-6-3-7-14-29)42(61)53-34(17-10-20-49-44(46)47)40(59)54-36(39(45)58)22-30-24-50-33-16-9-8-15-32(30)33/h2-9,11-16,24-26,34-38,50H,10,17-23H2,1H3,(H2,45,58)(H,48,51)(H,52,57)(H,53,61)(H,54,59)(H,55,62)(H,56,60)(H4,46,47,49)/t34-,35-,36-,37+,38-/m0/s1 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC1 receptor expressed in human HCT116 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(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/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
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC1 receptor expressed in human HCT116 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50358562
(CHEMBL1923665)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](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:8.8,90.95,wD:12.12,4.4,32.32,42.43,57.60,68.71,82.87,101.106,(4.17,-29.27,;2.84,-28.5,;2.84,-26.97,;1.5,-26.19,;1.5,-24.66,;.18,-23.88,;-1.16,-24.65,;-1.16,-26.2,;-2.5,-23.89,;-3.83,-24.66,;-5.16,-23.89,;-5.16,-22.35,;-6.5,-24.66,;-7.83,-23.89,;-6.5,-26.2,;-5.16,-26.97,;-3.83,-26.2,;-2.49,-26.96,;-2.49,-28.5,;-1.15,-29.27,;-3.83,-29.28,;-5.16,-28.51,;-2.5,-22.34,;-1.16,-21.57,;-3.83,-21.58,;2.84,-23.88,;2.84,-22.34,;4.17,-24.65,;5.51,-23.88,;6.84,-24.65,;6.84,-26.18,;8.17,-23.87,;9.5,-24.64,;9.5,-26.18,;10.84,-26.95,;12.31,-26.46,;13.22,-27.7,;12.32,-28.96,;10.85,-28.49,;10.84,-23.87,;10.84,-22.33,;12.18,-24.64,;13.51,-23.87,;13.51,-22.33,;14.27,-20.99,;13.48,-19.67,;14.23,-18.33,;15.78,-18.31,;16.53,-16.98,;18.07,-16.95,;18.86,-18.28,;18.1,-19.62,;16.56,-19.64,;15.81,-20.98,;14.84,-24.64,;14.84,-26.18,;16.17,-23.87,;17.51,-24.63,;17.51,-26.17,;18.85,-26.94,;18.85,-28.48,;20.18,-29.25,;20.18,-30.79,;18.85,-31.55,;21.52,-31.56,;18.85,-23.86,;18.85,-22.32,;20.18,-24.63,;21.51,-23.86,;21.51,-22.31,;22.84,-21.55,;24.09,-22.45,;25.34,-21.55,;24.86,-20.08,;25.63,-18.74,;24.86,-17.41,;23.32,-17.41,;22.55,-18.75,;23.32,-20.08,;22.84,-24.62,;22.84,-26.16,;24.18,-23.85,;25.51,-24.62,;25.51,-26.16,;26.85,-26.94,;28.18,-26.16,;26.85,-28.47,;26.85,-23.85,;26.85,-22.31,;28.18,-24.62,;29.52,-23.85,;29.52,-22.3,;30.85,-21.54,;30.85,-19.99,;32.18,-19.22,;32.18,-17.68,;30.84,-16.91,;33.51,-16.91,;30.85,-24.62,;30.85,-26.15,;32.19,-23.84,;33.51,-24.61,;33.51,-26.15,;34.85,-26.92,;36.18,-26.15,;37.52,-26.92,;37.52,-28.46,;36.19,-29.23,;34.86,-28.46,;34.85,-23.84,;34.85,-22.29,;36.19,-24.61,;37.52,-23.83,;38.85,-24.61,;40.19,-23.84,;38.85,-26.15,)| 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
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC1 receptor expressed in human HCT116 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492972
(CHEMBL2415080)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCn1cc(CCCCOC(CCC(O)C(C)CCC(O)C(C)CCC(O)C(C)C)C(C)CCC(O)C(C)CCC(O)C(C)C)nn1)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(N)=O |r| Show InChI InChI=1S/C88H143N17O17/c1-10-11-27-66(98-87(121)72(52-106)96-79(112)30-16-13-20-44-105-51-62(103-104-105)25-19-21-45-122-78(59(9)34-39-76(110)57(7)32-37-74(108)55(4)5)41-40-77(111)58(8)33-38-75(109)56(6)31-36-73(107)54(2)3)82(116)99-68(35-42-80(113)114)84(118)102-71(48-63-50-92-53-95-63)86(120)101-70(46-60-23-14-12-15-24-60)85(119)97-67(29-22-43-93-88(90)91)83(117)100-69(81(89)115)47-61-49-94-65-28-18-17-26-64(61)65/h12,14-15,17-18,23-24,26,28,49-51,53-59,66-78,94,106-111H,10-11,13,16,19-22,25,27,29-48,52H2,1-9H3,(H2,89,115)(H,92,95)(H,96,112)(H,97,119)(H,98,121)(H,99,116)(H,100,117)(H,101,120)(H,102,118)(H,113,114)(H4,90,91,93)/t56?,57?,58?,59?,66-,67-,68-,69-,70+,71-,72-,73?,74?,75?,76?,77?,78?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGOMSH(7) from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50358563
(CHEMBL1923666)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCNC(=O)CCCC#C)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)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 |r,wU:8.8,106.111,24.25,wD:12.21,4.4,48.48,58.59,73.76,84.87,98.103,117.122,(7.4,-50.38,;6.07,-49.61,;6.07,-48.07,;4.73,-47.3,;4.73,-45.77,;3.4,-44.99,;2.06,-45.76,;2.06,-47.31,;.73,-45,;-.6,-45.77,;-1.93,-45,;-1.93,-43.46,;-3.27,-45.77,;-3.27,-47.31,;-1.93,-48.08,;-.6,-47.3,;.73,-48.07,;.74,-49.61,;2.07,-50.38,;-.6,-50.38,;-1.94,-49.62,;-4.6,-45,;-5.94,-45.77,;-5.94,-47.31,;-7.27,-45,;-8.61,-45.77,;-7.27,-43.47,;-5.94,-42.7,;-5.94,-41.15,;-4.61,-40.38,;-4.61,-38.84,;-3.27,-38.07,;-3.27,-36.53,;-1.94,-38.84,;-.61,-38.07,;.73,-38.84,;2.06,-38.07,;3.38,-37.29,;.73,-43.45,;2.06,-42.68,;-.6,-42.69,;6.07,-44.99,;6.07,-43.45,;7.4,-45.76,;8.73,-44.99,;10.07,-45.76,;10.07,-47.29,;11.4,-44.98,;12.73,-45.75,;12.73,-47.29,;14.07,-48.06,;15.54,-47.57,;16.45,-48.81,;15.55,-50.07,;14.08,-49.6,;14.07,-44.98,;14.07,-43.44,;15.41,-45.75,;16.74,-44.98,;16.74,-43.44,;17.5,-42.1,;16.72,-40.78,;17.46,-39.44,;19.01,-39.42,;19.76,-38.08,;21.3,-38.06,;22.09,-39.39,;21.33,-40.73,;19.79,-40.75,;19.04,-42.09,;18.07,-45.75,;18.07,-47.28,;19.4,-44.98,;20.74,-45.74,;20.74,-47.28,;22.08,-48.05,;22.08,-49.59,;23.41,-50.36,;23.41,-51.89,;22.08,-52.66,;24.75,-52.67,;22.08,-44.97,;22.08,-43.43,;23.41,-45.74,;24.74,-44.97,;24.74,-43.42,;26.07,-42.65,;27.32,-43.56,;28.57,-42.65,;28.09,-41.19,;28.86,-39.85,;28.09,-38.52,;26.55,-38.52,;25.78,-39.86,;26.55,-41.19,;26.07,-45.73,;26.07,-47.27,;27.41,-44.96,;28.74,-45.73,;28.74,-47.27,;30.08,-48.04,;31.41,-47.27,;30.08,-49.58,;30.08,-44.96,;30.08,-43.42,;31.41,-45.73,;32.75,-44.96,;32.75,-43.41,;34.08,-42.65,;34.08,-41.1,;35.41,-40.33,;35.41,-38.79,;34.07,-38.01,;36.74,-38.02,;34.08,-45.73,;34.08,-47.26,;35.42,-44.95,;36.74,-45.72,;36.74,-47.26,;38.09,-48.03,;39.42,-47.26,;40.75,-48.03,;40.76,-49.57,;39.42,-50.34,;38.09,-49.56,;38.09,-44.95,;38.09,-43.4,;39.42,-45.72,;40.75,-44.94,;42.08,-45.72,;43.42,-44.95,;42.08,-47.25,)| Show InChI InChI=1S/C91H122N24O17/c1-5-7-10-31-75(118)99-38-18-17-26-63(92)79(122)110-69(43-55-33-36-61(116)37-34-55)88(131)115-78(53(3)4)89(132)109-65(27-8-6-2)80(123)104-51-76(119)106-72(46-60-49-98-52-105-60)86(129)112-70(44-56-32-35-57-23-13-14-24-58(57)41-56)84(127)107-67(30-20-40-101-91(96)97)83(126)113-71(45-59-48-102-64-28-16-15-25-62(59)64)85(128)114-73(47-77(120)121)87(130)108-66(29-19-39-100-90(94)95)82(125)111-68(81(124)103-50-74(93)117)42-54-21-11-9-12-22-54/h1,9,11-16,21-25,28,32-37,41,48-49,52-53,63,65-73,78,102,116H,6-8,10,17-20,26-27,29-31,38-40,42-47,50-51,92H2,2-4H3,(H2,93,117)(H,98,105)(H,99,118)(H,103,124)(H,104,123)(H,106,119)(H,107,127)(H,108,130)(H,109,132)(H,110,122)(H,111,125)(H,112,129)(H,113,126)(H,114,128)(H,115,131)(H,120,121)(H4,94,95,100)(H4,96,97,101)/t63-,65-,66-,67-,68-,69-,70+,71+,72-,73-,78-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC1 receptor expressed in human HCT116 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492970
(CHEMBL2415082)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCCCN=[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](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/C82H118N24O19/c1-4-5-21-55(97-79(123)64(45-108)103-76(120)60(38-49-27-29-52(109)30-28-49)100-78(122)63(44-107)95-66(110)26-10-7-15-35-93-105-87)72(116)98-57(31-32-68(112)113)74(118)102-62(40-51-42-88-46-92-51)77(121)99-59(37-48-18-8-6-9-19-48)75(119)96-56(24-16-34-89-82(85)86)73(117)101-61(39-50-41-90-54-22-12-11-20-53(50)54)71(115)91-43-67(111)94-58(23-13-14-33-83)81(125)106-36-17-25-65(106)80(124)104-69(47(2)3)70(84)114/h6,8-9,11-12,18-20,22,27-30,41-42,46-47,55-65,69,90,107-109H,4-5,7,10,13-17,21,23-26,31-40,43-45,83H2,1-3H3,(H2,84,114)(H,88,92)(H,91,115)(H,94,111)(H,95,110)(H,96,119)(H,97,123)(H,98,116)(H,99,121)(H,100,122)(H,101,117)(H,102,118)(H,103,120)(H,104,124)(H,112,113)(H4,85,86,89)/t55-,56-,57-,58-,59+,60-,61-,62-,63-,64-,65-,69-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGOMSH(7) from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492969
(CHEMBL2415084)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCCCn1cc(CCCCOC(CCC(C)C(O)CCC(C)C(O)CCC(OCCCCc2cn(CCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C(C)C)C(N)=O)nn2)C(C)CCC(O)C(C)CCC(O)C(C)C)C(C)C)nn1)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/C206H314N48O44/c1-15-17-55-145(185(277)233-149(79-87-177(269)270)189(281)241-159(105-137-109-215-119-223-137)195(287)235-153(99-129-47-23-19-24-48-129)191(283)229-147(61-43-91-217-205(211)212)187(279)239-157(103-133-107-219-143-57-31-29-53-141(133)143)183(275)221-111-175(267)225-151(59-33-37-89-207)203(295)253-95-45-63-165(253)201(293)245-179(123(7)8)181(209)273)231-199(291)163(117-257)243-193(285)155(101-131-71-75-139(259)76-72-131)237-197(289)161(115-255)227-173(265)65-27-21-39-93-251-113-135(247-249-251)51-35-41-97-297-171(122(5)6)85-70-127(13)168(262)82-68-126(12)170(264)84-86-172(128(14)69-83-169(263)125(11)67-81-167(261)121(3)4)298-98-42-36-52-136-114-252(250-248-136)94-40-22-28-66-174(266)228-162(116-256)198(290)238-156(102-132-73-77-140(260)78-74-132)194(286)244-164(118-258)200(292)232-146(56-18-16-2)186(278)234-150(80-88-178(271)272)190(282)242-160(106-138-110-216-120-224-138)196(288)236-154(100-130-49-25-20-26-50-130)192(284)230-148(62-44-92-218-206(213)214)188(280)240-158(104-134-108-220-144-58-32-30-54-142(134)144)184(276)222-112-176(268)226-152(60-34-38-90-208)204(296)254-96-46-64-166(254)202(294)246-180(124(9)10)182(210)274/h19-20,23-26,29-32,47-50,53-54,57-58,71-78,107-110,113-114,119-128,145-172,179-180,219-220,255-264H,15-18,21-22,27-28,33-46,51-52,55-56,59-70,79-106,111-112,115-118,207-208H2,1-14H3,(H2,209,273)(H2,210,274)(H,215,223)(H,216,224)(H,221,275)(H,222,276)(H,225,267)(H,226,268)(H,227,265)(H,228,266)(H,229,283)(H,230,284)(H,231,291)(H,232,292)(H,233,277)(H,234,278)(H,235,287)(H,236,288)(H,237,289)(H,238,290)(H,239,279)(H,240,280)(H,241,281)(H,242,282)(H,243,285)(H,244,286)(H,245,293)(H,246,294)(H,269,270)(H,271,272)(H4,211,212,217)(H4,213,214,218)/t125?,126?,127?,128?,145-,146-,147-,148-,149-,150-,151-,152-,153+,154+,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167?,168?,169?,170?,171?,172?,179-,180-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGO-NDP-alpha-MSH-NH2 from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50358565
(CHEMBL1923668)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCNC(=O)CCCC#C)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)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:4.4,48.48,58.59,73.76,84.87,95.99,114.118,12.21,wD:103.107,24.25,8.8,(4.96,-14.18,;3.63,-14.95,;3.63,-16.49,;2.3,-17.26,;2.3,-18.8,;.96,-19.58,;-.38,-18.8,;-.38,-17.26,;-1.71,-19.58,;-3.05,-18.8,;-4.39,-19.58,;-4.39,-21.11,;-5.72,-18.8,;-5.72,-17.26,;-4.39,-16.49,;-3.05,-17.26,;-1.71,-16.49,;-1.71,-14.95,;-.38,-14.17,;-3.05,-14.17,;-4.39,-14.95,;-7.06,-19.58,;-8.39,-18.81,;-8.4,-17.28,;-9.72,-19.59,;-11.06,-18.82,;-9.72,-21.12,;-8.38,-21.89,;-8.38,-23.43,;-7.04,-24.19,;-7.04,-25.73,;-5.7,-26.49,;-5.7,-28.03,;-4.37,-25.72,;-3.04,-26.48,;-1.71,-25.71,;-.38,-26.47,;.95,-27.24,;-1.71,-21.11,;-.38,-21.89,;-3.05,-21.89,;3.63,-19.58,;3.63,-21.11,;4.97,-18.8,;6.3,-19.58,;7.63,-18.8,;7.63,-17.26,;8.98,-19.58,;10.31,-18.8,;10.31,-17.26,;11.65,-16.49,;13.12,-16.94,;14.01,-15.69,;13.08,-14.45,;11.63,-14.94,;11.65,-19.58,;11.65,-21.11,;12.98,-18.8,;14.32,-19.58,;14.32,-21.11,;13.54,-22.44,;12.01,-22.42,;11.23,-23.74,;11.99,-25.07,;11.21,-26.4,;11.98,-27.74,;13.52,-27.74,;14.29,-26.41,;13.53,-25.08,;14.3,-23.76,;15.66,-18.8,;15.66,-17.26,;16.99,-19.58,;18.32,-18.8,;18.32,-17.26,;19.67,-16.49,;19.67,-14.95,;21,-14.17,;21,-12.63,;19.67,-11.86,;22.33,-11.86,;19.67,-19.58,;19.67,-21.11,;21,-18.8,;22.33,-19.58,;22.33,-21.11,;23.67,-21.89,;25.01,-21.11,;26.35,-21.89,;26.35,-23.43,;25.01,-24.21,;23.67,-23.43,;23.67,-18.8,;23.67,-17.26,;25.01,-19.58,;26.35,-18.8,;26.35,-17.26,;27.68,-16.49,;29.01,-17.26,;27.68,-14.95,;27.68,-19.58,;27.68,-21.11,;29.01,-18.8,;30.36,-19.58,;30.36,-21.11,;31.69,-21.89,;31.69,-23.43,;33.02,-24.21,;33.02,-25.74,;31.69,-26.52,;34.36,-26.52,;31.69,-18.8,;31.69,-17.26,;33.02,-19.58,;34.36,-18.8,;34.36,-17.26,;35.69,-16.49,;37.04,-17.26,;38.37,-16.49,;38.37,-14.95,;37.04,-14.17,;35.69,-14.95,;35.69,-19.58,;35.69,-21.11,;37.04,-18.8,;38.37,-19.58,;39.7,-18.8,;41.04,-19.58,;39.7,-17.26,)| Show InChI InChI=1S/C89H121N23O17/c1-5-7-11-32-73(115)97-39-19-18-28-62(90)77(119)107-68(45-56-34-37-61(113)38-35-56)86(128)112-76(53(3)4)87(129)106-63(29-8-6-2)78(120)101-51-74(116)103-70(47-60-49-96-52-102-60)84(126)110-69(46-57-33-36-58-26-16-17-27-59(58)42-57)82(124)104-65(31-21-41-99-89(94)95)81(123)109-67(44-55-24-14-10-15-25-55)83(125)111-71(48-75(117)118)85(127)105-64(30-20-40-98-88(92)93)80(122)108-66(79(121)100-50-72(91)114)43-54-22-12-9-13-23-54/h1,9-10,12-17,22-27,33-38,42,49,52-53,62-71,76,113H,6-8,11,18-21,28-32,39-41,43-48,50-51,90H2,2-4H3,(H2,91,114)(H,96,102)(H,97,115)(H,100,121)(H,101,120)(H,103,116)(H,104,124)(H,105,127)(H,106,129)(H,107,119)(H,108,122)(H,109,123)(H,110,126)(H,111,125)(H,112,128)(H,117,118)(H4,92,93,98)(H4,94,95,99)/t62-,63-,64-,65-,66-,67+,68-,69+,70-,71-,76-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50358565
(CHEMBL1923668)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCNC(=O)CCCC#C)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)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:4.4,48.48,58.59,73.76,84.87,95.99,114.118,12.21,wD:103.107,24.25,8.8,(4.96,-14.18,;3.63,-14.95,;3.63,-16.49,;2.3,-17.26,;2.3,-18.8,;.96,-19.58,;-.38,-18.8,;-.38,-17.26,;-1.71,-19.58,;-3.05,-18.8,;-4.39,-19.58,;-4.39,-21.11,;-5.72,-18.8,;-5.72,-17.26,;-4.39,-16.49,;-3.05,-17.26,;-1.71,-16.49,;-1.71,-14.95,;-.38,-14.17,;-3.05,-14.17,;-4.39,-14.95,;-7.06,-19.58,;-8.39,-18.81,;-8.4,-17.28,;-9.72,-19.59,;-11.06,-18.82,;-9.72,-21.12,;-8.38,-21.89,;-8.38,-23.43,;-7.04,-24.19,;-7.04,-25.73,;-5.7,-26.49,;-5.7,-28.03,;-4.37,-25.72,;-3.04,-26.48,;-1.71,-25.71,;-.38,-26.47,;.95,-27.24,;-1.71,-21.11,;-.38,-21.89,;-3.05,-21.89,;3.63,-19.58,;3.63,-21.11,;4.97,-18.8,;6.3,-19.58,;7.63,-18.8,;7.63,-17.26,;8.98,-19.58,;10.31,-18.8,;10.31,-17.26,;11.65,-16.49,;13.12,-16.94,;14.01,-15.69,;13.08,-14.45,;11.63,-14.94,;11.65,-19.58,;11.65,-21.11,;12.98,-18.8,;14.32,-19.58,;14.32,-21.11,;13.54,-22.44,;12.01,-22.42,;11.23,-23.74,;11.99,-25.07,;11.21,-26.4,;11.98,-27.74,;13.52,-27.74,;14.29,-26.41,;13.53,-25.08,;14.3,-23.76,;15.66,-18.8,;15.66,-17.26,;16.99,-19.58,;18.32,-18.8,;18.32,-17.26,;19.67,-16.49,;19.67,-14.95,;21,-14.17,;21,-12.63,;19.67,-11.86,;22.33,-11.86,;19.67,-19.58,;19.67,-21.11,;21,-18.8,;22.33,-19.58,;22.33,-21.11,;23.67,-21.89,;25.01,-21.11,;26.35,-21.89,;26.35,-23.43,;25.01,-24.21,;23.67,-23.43,;23.67,-18.8,;23.67,-17.26,;25.01,-19.58,;26.35,-18.8,;26.35,-17.26,;27.68,-16.49,;29.01,-17.26,;27.68,-14.95,;27.68,-19.58,;27.68,-21.11,;29.01,-18.8,;30.36,-19.58,;30.36,-21.11,;31.69,-21.89,;31.69,-23.43,;33.02,-24.21,;33.02,-25.74,;31.69,-26.52,;34.36,-26.52,;31.69,-18.8,;31.69,-17.26,;33.02,-19.58,;34.36,-18.8,;34.36,-17.26,;35.69,-16.49,;37.04,-17.26,;38.37,-16.49,;38.37,-14.95,;37.04,-14.17,;35.69,-14.95,;35.69,-19.58,;35.69,-21.11,;37.04,-18.8,;38.37,-19.58,;39.7,-18.8,;41.04,-19.58,;39.7,-17.26,)| Show InChI InChI=1S/C89H121N23O17/c1-5-7-11-32-73(115)97-39-19-18-28-62(90)77(119)107-68(45-56-34-37-61(113)38-35-56)86(128)112-76(53(3)4)87(129)106-63(29-8-6-2)78(120)101-51-74(116)103-70(47-60-49-96-52-102-60)84(126)110-69(46-57-33-36-58-26-16-17-27-59(58)42-57)82(124)104-65(31-21-41-99-89(94)95)81(123)109-67(44-55-24-14-10-15-25-55)83(125)111-71(48-75(117)118)85(127)105-64(30-20-40-98-88(92)93)80(122)108-66(79(121)100-50-72(91)114)43-54-22-12-9-13-23-54/h1,9-10,12-17,22-27,33-38,42,49,52-53,62-71,76,113H,6-8,11,18-21,28-32,39-41,43-48,50-51,90H2,2-4H3,(H2,91,114)(H,96,102)(H,97,115)(H,100,121)(H,101,120)(H,103,116)(H,104,124)(H,105,127)(H,106,129)(H,107,119)(H,108,122)(H,109,123)(H,110,126)(H,111,125)(H,112,128)(H,117,118)(H4,92,93,98)(H4,94,95,99)/t62-,63-,64-,65-,66-,67+,68-,69+,70-,71-,76-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC1 receptor expressed in human HCT116 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50428121
(CHEMBL2331674)Show SMILES NC(=O)CCNC(=O)C(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)NC(=O)CNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1 |r,wU:183.194,56.57,119.125,wD:151.160,161.171,172.183,45.46,97.102,34.34,24.23,108.114,87.91,(43.34,-23.24,;42.87,-24.71,;43.9,-25.84,;41.37,-25.04,;40.9,-26.5,;39.4,-26.83,;38.94,-28.29,;39.97,-29.43,;37.43,-28.62,;37.49,-27.07,;36.45,-25.95,;36.91,-24.48,;35.87,-23.35,;36.17,-21.84,;35.01,-20.82,;37.63,-21.35,;37.93,-19.84,;39.33,-19.19,;39.16,-17.66,;40.29,-16.62,;41.75,-17.08,;42.88,-16.04,;42.55,-14.54,;44.35,-16.5,;45.69,-15.76,;47.02,-16.56,;48.38,-15.83,;48.57,-14.3,;50.08,-14.01,;50.83,-15.36,;49.78,-16.48,;45.73,-14.22,;44.42,-13.41,;47.08,-13.48,;47.12,-11.94,;45.81,-11.14,;45.84,-9.59,;44.52,-8.79,;44.56,-7.25,;45.91,-6.51,;47.22,-7.31,;47.19,-8.85,;48.48,-11.2,;49.8,-12,;48.51,-9.65,;49.87,-8.92,;51.18,-9.72,;52.54,-8.98,;53.85,-9.77,;55.21,-9.04,;56.52,-9.83,;56.48,-11.37,;57.87,-9.09,;49.91,-7.37,;48.58,-6.56,;51.26,-6.63,;51.3,-5.09,;49.97,-4.28,;50,-2.74,;51.27,-1.87,;50.82,-.4,;49.29,-.36,;48.29,.81,;46.77,.55,;46.26,-.93,;47.26,-2.09,;48.77,-1.81,;52.64,-4.35,;52.68,-2.8,;53.95,-5.15,;37.65,-17.36,;36.89,-18.7,;35.88,-28.54,;34.83,-27.41,;33.33,-27.75,;32.29,-26.61,;30.75,-26.64,;30,-27.99,;29.96,-25.32,;28.43,-25.34,;27.49,-24.11,;26.03,-24.61,;24.78,-23.73,;23.38,-24.38,;22.13,-23.5,;22.26,-21.96,;20.74,-24.14,;19.4,-23.39,;19.39,-21.84,;18.05,-21.06,;16.65,-21.71,;15.61,-20.56,;16.37,-19.22,;17.87,-19.53,;18.06,-24.16,;18.07,-25.7,;16.73,-23.4,;15.4,-24.17,;15.4,-25.71,;14.07,-26.49,;12.73,-25.73,;11.41,-26.51,;11.42,-28.06,;12.76,-28.81,;14.09,-28.04,;14.06,-23.4,;14.05,-21.87,;12.72,-24.19,;11.39,-23.42,;11.39,-21.89,;10.04,-21.11,;10.04,-19.58,;8.69,-18.81,;8.68,-17.28,;7.34,-16.51,;10.02,-16.5,;10.05,-24.2,;10.06,-25.75,;8.71,-23.44,;7.37,-24.22,;7.38,-25.76,;6.06,-26.54,;4.66,-25.93,;3.63,-27.07,;4.4,-28.4,;3.93,-29.86,;4.97,-31.02,;6.48,-30.68,;6.95,-29.22,;5.91,-28.08,;6.05,-23.45,;4.71,-24.23,;6.04,-21.92,;26.06,-26.15,;27.53,-26.6,;36.97,-30.08,;35.46,-30.41,;34.43,-29.28,;35,-31.88,;33.49,-32.21,;33.03,-33.67,;34.07,-34.81,;31.53,-34,;31.06,-35.47,;29.6,-35.96,;29.61,-37.5,;28.37,-38.41,;26.96,-37.79,;25.72,-38.71,;25.89,-40.24,;24.31,-38.09,;22.99,-38.86,;21.64,-38.1,;20.31,-38.87,;20.16,-40.41,;18.66,-40.74,;17.87,-39.41,;18.89,-38.26,;22.99,-40.41,;24.33,-41.18,;21.66,-41.19,;21.67,-42.73,;23.01,-43.49,;23.01,-45.03,;24.36,-45.79,;24.37,-47.34,;23.04,-48.11,;21.7,-47.36,;21.69,-45.82,;20.33,-43.5,;19,-42.74,;20.35,-45.05,;19.02,-45.82,;17.69,-45.06,;16.34,-45.84,;15.01,-45.07,;13.67,-45.86,;12.34,-45.09,;12.33,-43.55,;11,-45.88,;19.02,-47.37,;20.37,-48.14,;17.7,-48.15,;17.7,-49.69,;19.04,-50.47,;19.06,-52,;17.82,-52.91,;18.3,-54.37,;19.84,-54.36,;20.87,-55.5,;22.38,-55.18,;22.85,-53.71,;21.81,-52.57,;20.31,-52.9,;16.37,-50.47,;16.37,-52.02,;15.04,-49.7,;31.07,-37.96,;31.97,-36.72,)| Show InChI InChI=1S/C130H166N48O21/c131-106(179)42-50-146-126(199)130(43-19-48-144-111(184)70-176-67-82(170-173-176)36-39-107(180)157-103(57-85-63-141-73-154-85)123(196)166-100(51-76-21-4-1-5-22-76)120(193)160-94(33-16-45-147-127(135)136)117(190)163-97(114(132)187)54-79-60-150-91-30-13-10-27-88(79)91,44-20-49-145-112(185)71-177-68-83(171-174-177)37-40-108(181)158-104(58-86-64-142-74-155-86)124(197)167-101(52-77-23-6-2-7-24-77)121(194)161-95(34-17-46-148-128(137)138)118(191)164-98(115(133)188)55-80-61-151-92-31-14-11-28-89(80)92)169-110(183)66-153-113(186)72-178-69-84(172-175-178)38-41-109(182)159-105(59-87-65-143-75-156-87)125(198)168-102(53-78-25-8-3-9-26-78)122(195)162-96(35-18-47-149-129(139)140)119(192)165-99(116(134)189)56-81-62-152-93-32-15-12-29-90(81)93/h1-15,21-32,60-65,67-69,73-75,94-105,150-152H,16-20,33-59,66,70-72H2,(H2,131,179)(H2,132,187)(H2,133,188)(H2,134,189)(H,141,154)(H,142,155)(H,143,156)(H,144,184)(H,145,185)(H,146,199)(H,153,186)(H,157,180)(H,158,181)(H,159,182)(H,160,193)(H,161,194)(H,162,195)(H,163,190)(H,164,191)(H,165,192)(H,166,196)(H,167,197)(H,168,198)(H,169,183)(H4,135,136,147)(H4,137,138,148)(H4,139,140,149)/t94-,95-,96-,97-,98-,99-,100+,101+,102+,103-,104-,105-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGOMSH(7) from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50358565
(CHEMBL1923668)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCNC(=O)CCCC#C)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)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:4.4,48.48,58.59,73.76,84.87,95.99,114.118,12.21,wD:103.107,24.25,8.8,(4.96,-14.18,;3.63,-14.95,;3.63,-16.49,;2.3,-17.26,;2.3,-18.8,;.96,-19.58,;-.38,-18.8,;-.38,-17.26,;-1.71,-19.58,;-3.05,-18.8,;-4.39,-19.58,;-4.39,-21.11,;-5.72,-18.8,;-5.72,-17.26,;-4.39,-16.49,;-3.05,-17.26,;-1.71,-16.49,;-1.71,-14.95,;-.38,-14.17,;-3.05,-14.17,;-4.39,-14.95,;-7.06,-19.58,;-8.39,-18.81,;-8.4,-17.28,;-9.72,-19.59,;-11.06,-18.82,;-9.72,-21.12,;-8.38,-21.89,;-8.38,-23.43,;-7.04,-24.19,;-7.04,-25.73,;-5.7,-26.49,;-5.7,-28.03,;-4.37,-25.72,;-3.04,-26.48,;-1.71,-25.71,;-.38,-26.47,;.95,-27.24,;-1.71,-21.11,;-.38,-21.89,;-3.05,-21.89,;3.63,-19.58,;3.63,-21.11,;4.97,-18.8,;6.3,-19.58,;7.63,-18.8,;7.63,-17.26,;8.98,-19.58,;10.31,-18.8,;10.31,-17.26,;11.65,-16.49,;13.12,-16.94,;14.01,-15.69,;13.08,-14.45,;11.63,-14.94,;11.65,-19.58,;11.65,-21.11,;12.98,-18.8,;14.32,-19.58,;14.32,-21.11,;13.54,-22.44,;12.01,-22.42,;11.23,-23.74,;11.99,-25.07,;11.21,-26.4,;11.98,-27.74,;13.52,-27.74,;14.29,-26.41,;13.53,-25.08,;14.3,-23.76,;15.66,-18.8,;15.66,-17.26,;16.99,-19.58,;18.32,-18.8,;18.32,-17.26,;19.67,-16.49,;19.67,-14.95,;21,-14.17,;21,-12.63,;19.67,-11.86,;22.33,-11.86,;19.67,-19.58,;19.67,-21.11,;21,-18.8,;22.33,-19.58,;22.33,-21.11,;23.67,-21.89,;25.01,-21.11,;26.35,-21.89,;26.35,-23.43,;25.01,-24.21,;23.67,-23.43,;23.67,-18.8,;23.67,-17.26,;25.01,-19.58,;26.35,-18.8,;26.35,-17.26,;27.68,-16.49,;29.01,-17.26,;27.68,-14.95,;27.68,-19.58,;27.68,-21.11,;29.01,-18.8,;30.36,-19.58,;30.36,-21.11,;31.69,-21.89,;31.69,-23.43,;33.02,-24.21,;33.02,-25.74,;31.69,-26.52,;34.36,-26.52,;31.69,-18.8,;31.69,-17.26,;33.02,-19.58,;34.36,-18.8,;34.36,-17.26,;35.69,-16.49,;37.04,-17.26,;38.37,-16.49,;38.37,-14.95,;37.04,-14.17,;35.69,-14.95,;35.69,-19.58,;35.69,-21.11,;37.04,-18.8,;38.37,-19.58,;39.7,-18.8,;41.04,-19.58,;39.7,-17.26,)| Show InChI InChI=1S/C89H121N23O17/c1-5-7-11-32-73(115)97-39-19-18-28-62(90)77(119)107-68(45-56-34-37-61(113)38-35-56)86(128)112-76(53(3)4)87(129)106-63(29-8-6-2)78(120)101-51-74(116)103-70(47-60-49-96-52-102-60)84(126)110-69(46-57-33-36-58-26-16-17-27-59(58)42-57)82(124)104-65(31-21-41-99-89(94)95)81(123)109-67(44-55-24-14-10-15-25-55)83(125)111-71(48-75(117)118)85(127)105-64(30-20-40-98-88(92)93)80(122)108-66(79(121)100-50-72(91)114)43-54-22-12-9-13-23-54/h1,9-10,12-17,22-27,33-38,42,49,52-53,62-71,76,113H,6-8,11,18-21,28-32,39-41,43-48,50-51,90H2,2-4H3,(H2,91,114)(H,96,102)(H,97,115)(H,100,121)(H,101,120)(H,103,116)(H,104,124)(H,105,127)(H,106,129)(H,107,119)(H,108,122)(H,109,123)(H,110,126)(H,111,125)(H,112,128)(H,117,118)(H4,92,93,98)(H4,94,95,99)/t62-,63-,64-,65-,66-,67+,68-,69+,70-,71-,76-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50358564
(CHEMBL1923667)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](CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)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:12.12,4.4,32.32,42.43,57.60,68.71,79.83,98.102,wD:8.8,87.91,(2.8,4.52,;1.47,3.75,;1.47,2.22,;.14,1.44,;.14,-.09,;-1.2,-.87,;-2.53,-.09,;-2.53,1.44,;-3.86,-.87,;-5.19,-.09,;-6.53,-.87,;-6.53,-2.4,;-7.86,-.09,;-9.2,-.87,;-7.86,1.44,;-6.53,2.22,;-5.19,1.44,;-3.86,2.22,;-3.86,3.75,;-2.53,4.53,;-5.19,4.53,;-6.53,3.75,;-3.86,-2.4,;-2.53,-3.18,;-5.19,-3.18,;1.47,-.87,;1.47,-2.4,;2.8,-.09,;4.13,-.87,;5.46,-.09,;5.46,1.44,;6.8,-.87,;8.13,-.09,;8.13,1.44,;9.46,2.22,;10.94,1.76,;11.83,3.01,;10.9,4.25,;9.45,3.76,;9.46,-.87,;9.46,-2.4,;10.79,-.09,;12.13,-.87,;12.13,-2.4,;11.36,-3.72,;9.83,-3.7,;9.05,-5.02,;9.81,-6.35,;9.03,-7.67,;9.79,-9.01,;11.34,-9.01,;12.1,-7.68,;11.34,-6.36,;12.11,-5.04,;13.47,-.09,;13.47,1.44,;14.8,-.87,;16.13,-.09,;16.13,1.44,;17.47,2.22,;17.47,3.75,;18.8,4.53,;18.8,6.06,;17.47,6.83,;20.13,6.83,;17.47,-.87,;17.47,-2.4,;18.8,-.09,;20.13,-.87,;20.13,-2.4,;21.46,-3.18,;22.8,-2.4,;24.13,-3.18,;24.13,-4.71,;22.8,-5.48,;21.46,-4.71,;21.46,-.09,;21.46,1.44,;22.8,-.87,;24.13,-.09,;24.13,1.44,;25.46,2.22,;26.79,1.44,;25.46,3.75,;25.46,-.87,;25.46,-2.4,;26.79,-.09,;28.13,-.87,;28.13,-2.4,;29.46,-3.18,;29.46,-4.71,;30.79,-5.48,;30.79,-7.02,;29.46,-7.79,;32.12,-7.79,;29.46,-.09,;29.46,1.44,;30.79,-.87,;32.12,-.09,;32.12,1.44,;33.45,2.22,;34.79,1.44,;36.12,2.22,;36.12,3.75,;34.79,4.53,;33.45,3.75,;33.45,-.87,;33.45,-2.4,;34.79,-.09,;36.12,-.87,;37.46,-.09,;38.79,-.87,;37.46,1.44,)| Show InChI InChI=1S/C77H103N21O15/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)88-42-63(101)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(82)83)70(108)95-58(36-46-18-10-7-11-19-46)72(110)97-61(39-64(102)103)74(112)92-55(23-14-31-85-76(80)81)69(107)94-57(68(106)87-41-62(79)100)35-45-16-8-6-9-17-45/h6-13,16-21,25-30,33,40,43-44,53-61,65,99H,4-5,14-15,22-24,31-32,34-39,41-42,78H2,1-3H3,(H2,79,100)(H,84,89)(H,87,106)(H,88,105)(H,90,101)(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,102,103)(H4,80,81,85)(H4,82,83,86)/t53-,54-,55-,56-,57-,58+,59+,60-,61-,65-/m0/s1 | PDB
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UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
UniChem
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| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC1 receptor expressed in human HCT116 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492977
(CHEMBL2415083)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCCCn1cc(CCCCOC(CCC(O)C(C)CCC(O)C(C)CCC(O)C(C)C)C(C)CCC(O)C(C)CCC(O)C(C)C)nn1)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/C118H188N24O25/c1-12-13-32-85(131-115(164)94(68-144)137-112(161)90(60-78-42-44-82(145)45-43-78)134-114(163)93(67-143)129-102(151)37-18-15-24-56-141-66-80(139-140-141)30-22-25-58-167-101(76(11)41-50-99(149)74(9)39-48-97(147)71(4)5)52-51-100(150)75(10)40-49-98(148)73(8)38-47-96(146)70(2)3)108(157)132-87(46-53-104(153)154)110(159)136-92(62-81-64-123-69-127-81)113(162)133-89(59-77-28-16-14-17-29-77)111(160)130-86(35-26-55-124-118(121)122)109(158)135-91(61-79-63-125-84-33-20-19-31-83(79)84)107(156)126-65-103(152)128-88(34-21-23-54-119)117(166)142-57-27-36-95(142)116(165)138-105(72(6)7)106(120)155/h14,16-17,19-20,28-29,31,33,42-45,63-64,66,69-76,85-101,105,125,143-150H,12-13,15,18,21-27,30,32,34-41,46-62,65,67-68,119H2,1-11H3,(H2,120,155)(H,123,127)(H,126,156)(H,128,152)(H,129,151)(H,130,160)(H,131,164)(H,132,157)(H,133,162)(H,134,163)(H,135,158)(H,136,159)(H,137,161)(H,138,165)(H,153,154)(H4,121,122,124)/t73?,74?,75?,76?,85-,86-,87-,88-,89+,90-,91-,92-,93-,94-,95-,96?,97?,98?,99?,100?,101?,105-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGOMSH(7) from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(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/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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50399454
(CHEMBL2179401)Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(CSCC(NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CCSC1CC(=O)N(CCNC(=O)CCCCC[N+]2=C(Cc3cc(ccc23)S([O-])(=O)=O)\C=C\C=C\C=C2\Cc3cc(ccc3N2CC)S([O-])(=O)=O)C1=O)C(=O)NCC(=O)NC(CO)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O)OC(=O)CCCCCCCCCCCCCCC |t:67| Show InChI InChI=1S/C109H176N12O30S4/c1-4-7-9-11-13-15-17-19-21-23-25-27-34-44-105(131)150-78-89(151-106(132)45-35-28-26-24-22-20-18-16-14-12-10-8-5-2)83-152-84-93(108(134)116-76-100(126)117-92(77-122)107(133)115-54-40-61-145-65-69-147-68-64-143-59-38-52-112-101(127)80-148-79-97(110)123)118-103(129)82-149-81-102(128)113-53-39-60-144-63-67-146-66-62-142-58-37-51-111-99(125)50-70-153-96-75-104(130)121(109(96)135)57-55-114-98(124)43-33-30-36-56-120-88(72-86-74-91(155(139,140)141)47-49-95(86)120)42-32-29-31-41-87-71-85-73-90(154(136,137)138)46-48-94(85)119(87)6-3/h29,31-32,41-42,46-49,73-74,89,92-93,96,122H,4-28,30,33-40,43-45,50-72,75-84H2,1-3H3,(H11-,110,111,112,113,114,115,116,117,118,123,124,125,126,127,128,129,133,134,136,137,138,139,140,141)/p-1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA from human TLR2 expressed in HEK293 cells after 1 hr |
J Med Chem 55: 9751-62 (2012)
Article DOI: 10.1021/jm301002f
BindingDB Entry DOI: 10.7270/Q2QV3NN8 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50428121
(CHEMBL2331674)Show SMILES NC(=O)CCNC(=O)C(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)NC(=O)CNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1 |r,wU:183.194,56.57,119.125,wD:151.160,161.171,172.183,45.46,97.102,34.34,24.23,108.114,87.91,(43.34,-23.24,;42.87,-24.71,;43.9,-25.84,;41.37,-25.04,;40.9,-26.5,;39.4,-26.83,;38.94,-28.29,;39.97,-29.43,;37.43,-28.62,;37.49,-27.07,;36.45,-25.95,;36.91,-24.48,;35.87,-23.35,;36.17,-21.84,;35.01,-20.82,;37.63,-21.35,;37.93,-19.84,;39.33,-19.19,;39.16,-17.66,;40.29,-16.62,;41.75,-17.08,;42.88,-16.04,;42.55,-14.54,;44.35,-16.5,;45.69,-15.76,;47.02,-16.56,;48.38,-15.83,;48.57,-14.3,;50.08,-14.01,;50.83,-15.36,;49.78,-16.48,;45.73,-14.22,;44.42,-13.41,;47.08,-13.48,;47.12,-11.94,;45.81,-11.14,;45.84,-9.59,;44.52,-8.79,;44.56,-7.25,;45.91,-6.51,;47.22,-7.31,;47.19,-8.85,;48.48,-11.2,;49.8,-12,;48.51,-9.65,;49.87,-8.92,;51.18,-9.72,;52.54,-8.98,;53.85,-9.77,;55.21,-9.04,;56.52,-9.83,;56.48,-11.37,;57.87,-9.09,;49.91,-7.37,;48.58,-6.56,;51.26,-6.63,;51.3,-5.09,;49.97,-4.28,;50,-2.74,;51.27,-1.87,;50.82,-.4,;49.29,-.36,;48.29,.81,;46.77,.55,;46.26,-.93,;47.26,-2.09,;48.77,-1.81,;52.64,-4.35,;52.68,-2.8,;53.95,-5.15,;37.65,-17.36,;36.89,-18.7,;35.88,-28.54,;34.83,-27.41,;33.33,-27.75,;32.29,-26.61,;30.75,-26.64,;30,-27.99,;29.96,-25.32,;28.43,-25.34,;27.49,-24.11,;26.03,-24.61,;24.78,-23.73,;23.38,-24.38,;22.13,-23.5,;22.26,-21.96,;20.74,-24.14,;19.4,-23.39,;19.39,-21.84,;18.05,-21.06,;16.65,-21.71,;15.61,-20.56,;16.37,-19.22,;17.87,-19.53,;18.06,-24.16,;18.07,-25.7,;16.73,-23.4,;15.4,-24.17,;15.4,-25.71,;14.07,-26.49,;12.73,-25.73,;11.41,-26.51,;11.42,-28.06,;12.76,-28.81,;14.09,-28.04,;14.06,-23.4,;14.05,-21.87,;12.72,-24.19,;11.39,-23.42,;11.39,-21.89,;10.04,-21.11,;10.04,-19.58,;8.69,-18.81,;8.68,-17.28,;7.34,-16.51,;10.02,-16.5,;10.05,-24.2,;10.06,-25.75,;8.71,-23.44,;7.37,-24.22,;7.38,-25.76,;6.06,-26.54,;4.66,-25.93,;3.63,-27.07,;4.4,-28.4,;3.93,-29.86,;4.97,-31.02,;6.48,-30.68,;6.95,-29.22,;5.91,-28.08,;6.05,-23.45,;4.71,-24.23,;6.04,-21.92,;26.06,-26.15,;27.53,-26.6,;36.97,-30.08,;35.46,-30.41,;34.43,-29.28,;35,-31.88,;33.49,-32.21,;33.03,-33.67,;34.07,-34.81,;31.53,-34,;31.06,-35.47,;29.6,-35.96,;29.61,-37.5,;28.37,-38.41,;26.96,-37.79,;25.72,-38.71,;25.89,-40.24,;24.31,-38.09,;22.99,-38.86,;21.64,-38.1,;20.31,-38.87,;20.16,-40.41,;18.66,-40.74,;17.87,-39.41,;18.89,-38.26,;22.99,-40.41,;24.33,-41.18,;21.66,-41.19,;21.67,-42.73,;23.01,-43.49,;23.01,-45.03,;24.36,-45.79,;24.37,-47.34,;23.04,-48.11,;21.7,-47.36,;21.69,-45.82,;20.33,-43.5,;19,-42.74,;20.35,-45.05,;19.02,-45.82,;17.69,-45.06,;16.34,-45.84,;15.01,-45.07,;13.67,-45.86,;12.34,-45.09,;12.33,-43.55,;11,-45.88,;19.02,-47.37,;20.37,-48.14,;17.7,-48.15,;17.7,-49.69,;19.04,-50.47,;19.06,-52,;17.82,-52.91,;18.3,-54.37,;19.84,-54.36,;20.87,-55.5,;22.38,-55.18,;22.85,-53.71,;21.81,-52.57,;20.31,-52.9,;16.37,-50.47,;16.37,-52.02,;15.04,-49.7,;31.07,-37.96,;31.97,-36.72,)| Show InChI InChI=1S/C130H166N48O21/c131-106(179)42-50-146-126(199)130(43-19-48-144-111(184)70-176-67-82(170-173-176)36-39-107(180)157-103(57-85-63-141-73-154-85)123(196)166-100(51-76-21-4-1-5-22-76)120(193)160-94(33-16-45-147-127(135)136)117(190)163-97(114(132)187)54-79-60-150-91-30-13-10-27-88(79)91,44-20-49-145-112(185)71-177-68-83(171-174-177)37-40-108(181)158-104(58-86-64-142-74-155-86)124(197)167-101(52-77-23-6-2-7-24-77)121(194)161-95(34-17-46-148-128(137)138)118(191)164-98(115(133)188)55-80-61-151-92-31-14-11-28-89(80)92)169-110(183)66-153-113(186)72-178-69-84(172-175-178)38-41-109(182)159-105(59-87-65-143-75-156-87)125(198)168-102(53-78-25-8-3-9-26-78)122(195)162-96(35-18-47-149-129(139)140)119(192)165-99(116(134)189)56-81-62-152-93-32-15-12-29-90(81)93/h1-15,21-32,60-65,67-69,73-75,94-105,150-152H,16-20,33-59,66,70-72H2,(H2,131,179)(H2,132,187)(H2,133,188)(H2,134,189)(H,141,154)(H,142,155)(H,143,156)(H,144,184)(H,145,185)(H,146,199)(H,153,186)(H,157,180)(H,158,181)(H,159,182)(H,160,193)(H,161,194)(H,162,195)(H,163,190)(H,164,191)(H,165,192)(H,166,196)(H,167,197)(H,168,198)(H,169,183)(H4,135,136,147)(H4,137,138,148)(H4,139,140,149)/t94-,95-,96-,97-,98-,99-,100+,101+,102+,103-,104-,105-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGO-NDP-alpha-MSH-NH2 from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492977
(CHEMBL2415083)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCCCn1cc(CCCCOC(CCC(O)C(C)CCC(O)C(C)CCC(O)C(C)C)C(C)CCC(O)C(C)CCC(O)C(C)C)nn1)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/C118H188N24O25/c1-12-13-32-85(131-115(164)94(68-144)137-112(161)90(60-78-42-44-82(145)45-43-78)134-114(163)93(67-143)129-102(151)37-18-15-24-56-141-66-80(139-140-141)30-22-25-58-167-101(76(11)41-50-99(149)74(9)39-48-97(147)71(4)5)52-51-100(150)75(10)40-49-98(148)73(8)38-47-96(146)70(2)3)108(157)132-87(46-53-104(153)154)110(159)136-92(62-81-64-123-69-127-81)113(162)133-89(59-77-28-16-14-17-29-77)111(160)130-86(35-26-55-124-118(121)122)109(158)135-91(61-79-63-125-84-33-20-19-31-83(79)84)107(156)126-65-103(152)128-88(34-21-23-54-119)117(166)142-57-27-36-95(142)116(165)138-105(72(6)7)106(120)155/h14,16-17,19-20,28-29,31,33,42-45,63-64,66,69-76,85-101,105,125,143-150H,12-13,15,18,21-27,30,32,34-41,46-62,65,67-68,119H2,1-11H3,(H2,120,155)(H,123,127)(H,126,156)(H,128,152)(H,129,151)(H,130,160)(H,131,164)(H,132,157)(H,133,162)(H,134,163)(H,135,158)(H,136,159)(H,137,161)(H,138,165)(H,153,154)(H4,121,122,124)/t73?,74?,75?,76?,85-,86-,87-,88-,89+,90-,91-,92-,93-,94-,95-,96?,97?,98?,99?,100?,101?,105-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGO-NDP-alpha-MSH-NH2 from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492971
(CHEMBL2415081)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCn1cc(CCCCOC(CCC(C)C(O)CCC(C)C(O)CCC(OCCCCc2cn(CCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)nn2)C(C)CCC(O)C(C)CCC(O)C(C)C)C(C)C)nn1)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(N)=O |r| Show InChI InChI=1S/C146H224N34O28/c1-11-13-45-107(133(195)167-111(57-65-129(189)190)137(199)173-117(77-101-81-153-87-159-101)141(203)171-115(73-95-37-19-15-20-38-95)139(201)163-109(49-35-67-155-145(149)150)135(197)169-113(131(147)193)75-97-79-157-105-47-27-25-43-103(97)105)165-143(205)119(85-181)161-127(187)51-23-17-31-69-179-83-99(175-177-179)41-29-33-71-207-125(90(5)6)63-56-93(9)122(184)60-54-92(8)124(186)62-64-126(94(10)55-61-123(185)91(7)53-59-121(183)89(3)4)208-72-34-30-42-100-84-180(178-176-100)70-32-18-24-52-128(188)162-120(86-182)144(206)166-108(46-14-12-2)134(196)168-112(58-66-130(191)192)138(200)174-118(78-102-82-154-88-160-102)142(204)172-116(74-96-39-21-16-22-40-96)140(202)164-110(50-36-68-156-146(151)152)136(198)170-114(132(148)194)76-98-80-158-106-48-28-26-44-104(98)106/h15-16,19-22,25-28,37-40,43-44,47-48,79-84,87-94,107-126,157-158,181-186H,11-14,17-18,23-24,29-36,41-42,45-46,49-78,85-86H2,1-10H3,(H2,147,193)(H2,148,194)(H,153,159)(H,154,160)(H,161,187)(H,162,188)(H,163,201)(H,164,202)(H,165,205)(H,166,206)(H,167,195)(H,168,196)(H,169,197)(H,170,198)(H,171,203)(H,172,204)(H,173,199)(H,174,200)(H,189,190)(H,191,192)(H4,149,150,155)(H4,151,152,156)/t91?,92?,93?,94?,107-,108-,109-,110-,111-,112-,113-,114-,115+,116+,117-,118-,119-,120-,121?,122?,123?,124?,125?,126?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGO-NDP-alpha-MSH-NH2 from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492975
(CHEMBL2415019)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCn1cc(CCCC)nn1)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(N)=O |r| Show InChI InChI=1S/C58H83N17O11/c1-3-5-18-38-33-75(74-73-38)27-14-8-11-23-49(77)66-48(34-76)57(86)68-42(20-6-4-2)52(81)69-44(24-25-50(78)79)54(83)72-47(30-39-32-62-35-65-39)56(85)71-46(28-36-16-9-7-10-17-36)55(84)67-43(22-15-26-63-58(60)61)53(82)70-45(51(59)80)29-37-31-64-41-21-13-12-19-40(37)41/h7,9-10,12-13,16-17,19,21,31-33,35,42-48,64,76H,3-6,8,11,14-15,18,20,22-30,34H2,1-2H3,(H2,59,80)(H,62,65)(H,66,77)(H,67,84)(H,68,86)(H,69,81)(H,70,82)(H,71,85)(H,72,83)(H,78,79)(H4,60,61,63)/t42-,43-,44-,45-,46+,47-,48-/m0/s1 | PDB
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UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGO-NDP-alpha-MSH-NH2 from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(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/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
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50399450
(CHEMBL2179403)Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(C)=O)C(=O)NCC(=O)N[C@H](CO)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C73H136N8O21S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-34-70(89)101-54-62(102-71(90)35-29-27-25-23-21-19-17-15-13-11-9-7-5-2)59-103-60-64(81-69(88)58-100-57-68(87)77-38-32-42-95-45-49-97-48-44-93-40-30-36-75-61(3)83)73(92)79-52-66(85)80-63(53-82)72(91)78-39-33-43-96-47-51-98-50-46-94-41-31-37-76-67(86)56-99-55-65(74)84/h62-64,82H,4-60H2,1-3H3,(H2,74,84)(H,75,83)(H,76,86)(H,77,87)(H,78,91)(H,79,92)(H,80,85)(H,81,88)/t62-,63-,64+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA from human TLR2 expressed in HEK293 cells after 1 hr |
J Med Chem 55: 9751-62 (2012)
Article DOI: 10.1021/jm301002f
BindingDB Entry DOI: 10.7270/Q2QV3NN8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50399455
(CHEMBL2179402)Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CCS)C(=O)NCC(=O)N[C@H](CO)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C74H138N8O21S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-71(90)102-55-62(103-72(91)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2)60-105-61-64(82-70(89)59-101-58-69(88)78-38-31-42-96-45-49-98-48-44-94-40-29-36-76-66(85)35-52-104)74(93)80-53-67(86)81-63(54-83)73(92)79-39-32-43-97-47-51-99-50-46-95-41-30-37-77-68(87)57-100-56-65(75)84/h62-64,83,104H,3-61H2,1-2H3,(H2,75,84)(H,76,85)(H,77,87)(H,78,88)(H,79,92)(H,80,93)(H,81,86)(H,82,89)/t62-,63-,64+/m1/s1 | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA from human TLR2 expressed in SU.86.86 cells after 1 hr |
J Med Chem 55: 9751-62 (2012)
Article DOI: 10.1021/jm301002f
BindingDB Entry DOI: 10.7270/Q2QV3NN8 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50358559
(CHEMBL1923662)Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:11.19,7.7,22.30,wD:44.46,(13.28,5.22,;14.61,4.46,;15.94,5.22,;14.61,2.91,;13.27,2.14,;13.27,.61,;11.94,-.17,;11.94,-1.7,;10.61,-2.47,;9.27,-1.7,;9.27,-.16,;7.94,-2.47,;7.94,-4.01,;9.26,-4.78,;10.6,-4.01,;11.93,-4.79,;11.93,-6.33,;10.59,-7.09,;9.26,-6.32,;6.6,-1.7,;5.27,-2.47,;5.27,-4,;3.93,-1.69,;3.93,-.15,;5.27,.62,;6.74,.15,;7.63,1.42,;6.71,2.65,;5.25,2.15,;2.6,-2.46,;1.27,-1.7,;1.27,-.16,;-.06,-2.47,;-1.4,-1.7,;-2.73,-2.47,;-4.07,-1.7,;-4.07,-.16,;-5.39,.6,;-6.73,-.17,;-6.73,-1.72,;-5.38,-2.48,;13.27,-2.47,;13.27,-4.02,;14.6,-1.71,;15.94,-2.48,;15.94,-4.02,;17.27,-4.78,;18.52,-3.89,;19.76,-4.8,;19.28,-6.27,;20.04,-7.6,;19.27,-8.93,;17.73,-8.92,;16.96,-7.59,;17.74,-6.26,;17.27,-1.7,;18.61,-2.48,;17.27,-.17,)| Show InChI InChI=1S/C42H51N11O5/c43-38(55)34(22-29-24-48-32-17-8-7-16-31(29)32)52-39(56)33(18-10-20-47-42(44)45)51-40(57)35(21-28-13-5-2-6-14-28)53-41(58)36(23-30-25-46-26-49-30)50-37(54)19-9-15-27-11-3-1-4-12-27/h1-8,11-14,16-17,24-26,33-36,48H,9-10,15,18-23H2,(H2,43,55)(H,46,49)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,44,45,47)/t33-,34-,35+,36-/m0/s1 | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492972
(CHEMBL2415080)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCn1cc(CCCCOC(CCC(O)C(C)CCC(O)C(C)CCC(O)C(C)C)C(C)CCC(O)C(C)CCC(O)C(C)C)nn1)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(N)=O |r| Show InChI InChI=1S/C88H143N17O17/c1-10-11-27-66(98-87(121)72(52-106)96-79(112)30-16-13-20-44-105-51-62(103-104-105)25-19-21-45-122-78(59(9)34-39-76(110)57(7)32-37-74(108)55(4)5)41-40-77(111)58(8)33-38-75(109)56(6)31-36-73(107)54(2)3)82(116)99-68(35-42-80(113)114)84(118)102-71(48-63-50-92-53-95-63)86(120)101-70(46-60-23-14-12-15-24-60)85(119)97-67(29-22-43-93-88(90)91)83(117)100-69(81(89)115)47-61-49-94-65-28-18-17-26-64(61)65/h12,14-15,17-18,23-24,26,28,49-51,53-59,66-78,94,106-111H,10-11,13,16,19-22,25,27,29-48,52H2,1-9H3,(H2,89,115)(H,92,95)(H,96,112)(H,97,119)(H,98,121)(H,99,116)(H,100,117)(H,101,120)(H,102,118)(H,113,114)(H4,90,91,93)/t56?,57?,58?,59?,66-,67-,68-,69-,70+,71-,72-,73?,74?,75?,76?,77?,78?/m0/s1 | PDB
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| Article
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGO-NDP-alpha-MSH-NH2 from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492974
(CHEMBL2415086)Show SMILES CC(=O)NCC(=O)NC(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)C(=O)NCCC(N)=O |r| Show InChI InChI=1S/C93H122N34O16/c1-55(128)108-48-79(132)121-93(90(143)105-37-30-76(94)129,31-14-35-103-80(133)51-126-49-60(122-124-126)26-28-77(130)113-74(42-62-46-101-53-111-62)88(141)119-72(38-56-16-4-2-5-17-56)86(139)115-68(24-12-33-106-91(97)98)84(137)117-70(82(95)135)40-58-44-109-66-22-10-8-20-64(58)66)32-15-36-104-81(134)52-127-50-61(123-125-127)27-29-78(131)114-75(43-63-47-102-54-112-63)89(142)120-73(39-57-18-6-3-7-19-57)87(140)116-69(25-13-34-107-92(99)100)85(138)118-71(83(96)136)41-59-45-110-67-23-11-9-21-65(59)67/h2-11,16-23,44-47,49-50,53-54,68-75,109-110H,12-15,24-43,48,51-52H2,1H3,(H2,94,129)(H2,95,135)(H2,96,136)(H,101,111)(H,102,112)(H,103,133)(H,104,134)(H,105,143)(H,108,128)(H,113,130)(H,114,131)(H,115,139)(H,116,140)(H,117,137)(H,118,138)(H,119,141)(H,120,142)(H,121,132)(H4,97,98,106)(H4,99,100,107)/t68-,69-,70-,71-,72+,73+,74-,75-/m0/s1 | PDB
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGOMSH(7) from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50358561
(CHEMBL1923664)Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC#C)C(N)=O |r,wU:22.30,11.19,7.7,wD:44.46,62.66,(14.73,6.99,;16.06,6.21,;17.4,6.98,;16.06,4.67,;14.72,3.9,;14.72,2.37,;13.39,1.59,;13.39,.06,;12.05,-.71,;10.71,.06,;10.71,1.6,;9.39,-.7,;9.39,-2.25,;10.71,-3.02,;12.05,-2.25,;13.38,-3.03,;13.38,-4.57,;12.04,-5.33,;10.71,-4.56,;8.05,.06,;6.72,-.7,;6.72,-2.24,;5.38,.06,;5.38,1.61,;6.72,2.38,;8.2,1.91,;9.08,3.17,;8.16,4.41,;6.7,3.91,;4.05,-.7,;2.72,.06,;2.71,1.6,;1.38,-.71,;.05,.06,;-1.29,-.71,;-2.61,.05,;-2.62,1.59,;-3.94,2.37,;-5.28,1.59,;-5.28,.04,;-3.93,-.72,;14.72,-.71,;14.72,-2.26,;16.06,.05,;17.39,-.72,;17.39,-2.26,;18.71,-3.03,;19.97,-2.13,;21.21,-3.05,;20.73,-4.51,;21.49,-5.84,;20.72,-7.18,;19.18,-7.17,;18.41,-5.83,;19.19,-4.5,;18.71,.05,;18.71,1.59,;20.06,-.72,;21.39,.05,;22.73,-.71,;22.73,-2.25,;24.06,.05,;25.4,-.71,;25.4,-2.25,;26.73,-3.02,;26.73,-4.56,;28.07,-5.33,;28.07,-6.87,;26.74,-7.64,;25.4,-6.87,;26.74,-9.18,;25.4,-9.95,;25.4,-11.49,;24.07,-12.27,;22.73,-13.02,;26.73,.06,;28.06,-.71,;26.73,1.6,)| Show InChI InChI=1S/C56H72N14O8/c1-2-3-6-26-48(71)61-28-14-13-24-43(51(57)74)66-50(73)35-64-52(75)46(31-39-33-63-42-23-12-11-22-41(39)42)70-53(76)44(25-16-29-62-56(58)59)68-54(77)45(30-38-19-9-5-10-20-38)69-55(78)47(32-40-34-60-36-65-40)67-49(72)27-15-21-37-17-7-4-8-18-37/h1,4-5,7-12,17-20,22-23,33-34,36,43-47,63H,3,6,13-16,21,24-32,35H2,(H2,57,74)(H,60,65)(H,61,71)(H,64,75)(H,66,73)(H,67,72)(H,68,77)(H,69,78)(H,70,76)(H4,58,59,62)/t43-,44-,45+,46-,47-/m0/s1 | PDB
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| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50358560
(CHEMBL1923663)Show SMILES CC(=O)N[C@@H](CCc1ccccc1)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(N)=O |r,wU:26.27,37.39,16.16,wD:48.50,4.3,(-5.47,-21.29,;-4.14,-22.06,;-4.14,-23.6,;-2.81,-21.28,;-1.47,-22.05,;-1.47,-23.59,;-.13,-24.36,;-.13,-25.9,;-1.46,-26.66,;-1.46,-28.2,;-.12,-28.97,;1.21,-28.19,;1.2,-26.66,;-.14,-21.28,;-.14,-19.74,;1.2,-22.05,;2.52,-21.28,;2.52,-19.74,;3.86,-18.96,;5.34,-19.43,;6.22,-18.17,;5.3,-16.94,;3.84,-17.43,;3.86,-22.05,;3.86,-23.59,;5.19,-21.28,;6.53,-22.05,;6.53,-23.59,;7.86,-24.36,;9.19,-23.6,;10.53,-24.37,;10.52,-25.91,;9.19,-26.68,;7.85,-25.91,;7.86,-21.28,;7.86,-19.75,;9.2,-22.05,;10.53,-21.29,;10.53,-19.75,;11.86,-18.98,;11.86,-17.44,;13.2,-16.67,;13.2,-15.13,;11.87,-14.36,;14.54,-14.36,;11.86,-22.06,;11.86,-23.6,;13.19,-21.29,;14.53,-22.06,;14.53,-23.6,;15.86,-24.37,;17.11,-23.48,;18.35,-24.39,;17.87,-25.85,;18.64,-27.18,;17.86,-28.52,;16.32,-28.51,;15.55,-27.17,;16.33,-25.84,;15.86,-21.29,;17.2,-22.06,;15.86,-19.75,)| Show InChI InChI=1S/C44H54N12O6/c1-27(57)52-35(19-18-28-11-4-2-5-12-28)41(60)56-38(23-31-25-48-26-51-31)43(62)55-37(21-29-13-6-3-7-14-29)42(61)53-34(17-10-20-49-44(46)47)40(59)54-36(39(45)58)22-30-24-50-33-16-9-8-15-32(30)33/h2-9,11-16,24-26,34-38,50H,10,17-23H2,1H3,(H2,45,58)(H,48,51)(H,52,57)(H,53,61)(H,54,59)(H,55,62)(H,56,60)(H4,46,47,49)/t34-,35-,36-,37+,38-/m0/s1 | PDB
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50399454
(CHEMBL2179401)Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(CSCC(NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CCSC1CC(=O)N(CCNC(=O)CCCCC[N+]2=C(Cc3cc(ccc23)S([O-])(=O)=O)\C=C\C=C\C=C2\Cc3cc(ccc3N2CC)S([O-])(=O)=O)C1=O)C(=O)NCC(=O)NC(CO)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O)OC(=O)CCCCCCCCCCCCCCC |t:67| Show InChI InChI=1S/C109H176N12O30S4/c1-4-7-9-11-13-15-17-19-21-23-25-27-34-44-105(131)150-78-89(151-106(132)45-35-28-26-24-22-20-18-16-14-12-10-8-5-2)83-152-84-93(108(134)116-76-100(126)117-92(77-122)107(133)115-54-40-61-145-65-69-147-68-64-143-59-38-52-112-101(127)80-148-79-97(110)123)118-103(129)82-149-81-102(128)113-53-39-60-144-63-67-146-66-62-142-58-37-51-111-99(125)50-70-153-96-75-104(130)121(109(96)135)57-55-114-98(124)43-33-30-36-56-120-88(72-86-74-91(155(139,140)141)47-49-95(86)120)42-32-29-31-41-87-71-85-73-90(154(136,137)138)46-48-94(85)119(87)6-3/h29,31-32,41-42,46-49,73-74,89,92-93,96,122H,4-28,30,33-40,43-45,50-72,75-84H2,1-3H3,(H11-,110,111,112,113,114,115,116,117,118,123,124,125,126,127,128,129,133,134,136,137,138,139,140,141)/p-1 | PDB
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| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA from human TLR2 expressed in SU.86.86 cells after 1 hr |
J Med Chem 55: 9751-62 (2012)
Article DOI: 10.1021/jm301002f
BindingDB Entry DOI: 10.7270/Q2QV3NN8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 2
(Homo sapiens (Human)) | BDBM50399450
(CHEMBL2179403)Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(C)=O)C(=O)NCC(=O)N[C@H](CO)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C73H136N8O21S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-34-70(89)101-54-62(102-71(90)35-29-27-25-23-21-19-17-15-13-11-9-7-5-2)59-103-60-64(81-69(88)58-100-57-68(87)77-38-32-42-95-45-49-97-48-44-93-40-30-36-75-61(3)83)73(92)79-52-66(85)80-63(53-82)72(91)78-39-33-43-96-47-51-98-50-46-94-41-31-37-76-67(86)56-99-55-65(74)84/h62-64,82H,4-60H2,1-3H3,(H2,74,84)(H,75,83)(H,76,86)(H,77,87)(H,78,91)(H,79,92)(H,80,85)(H,81,88)/t62-,63-,64+/m1/s1 | PDB
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PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA from human TLR2 expressed in SU.86.86 cells after 1 hr |
J Med Chem 55: 9751-62 (2012)
Article DOI: 10.1021/jm301002f
BindingDB Entry DOI: 10.7270/Q2QV3NN8 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492973
(CHEMBL2415018)Show SMILES CC(C)C(O)CCC(C)C(O)CCC(C)C(CCC(O)C(C)CCC(O)C(C)CCC(OCCCCc1cn(CCCCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)C(C)C)OCCCCc1cn(CCCCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1 |r| Show InChI InChI=1S/C118H178N28O16/c1-75(2)101(147)49-45-77(5)103(149)51-47-80(8)106(162-60-28-24-36-86-72-146(144-142-86)58-26-12-18-44-108(152)134-100(66-88-70-126-74-132-88)116(160)140-98(62-82-33-15-10-16-34-82)114(158)136-94(42-30-56-128-118(123)124)112(156)138-96(110(120)154)64-84-68-130-92-40-22-20-38-90(84)92)54-52-104(150)78(6)46-50-102(148)79(7)48-53-105(76(3)4)161-59-27-23-35-85-71-145(143-141-85)57-25-11-17-43-107(151)133-99(65-87-69-125-73-131-87)115(159)139-97(61-81-31-13-9-14-32-81)113(157)135-93(41-29-55-127-117(121)122)111(155)137-95(109(119)153)63-83-67-129-91-39-21-19-37-89(83)91/h9-10,13-16,19-22,31-34,37-40,67-80,93-106,129-130,147-150H,11-12,17-18,23-30,35-36,41-66H2,1-8H3,(H2,119,153)(H2,120,154)(H,125,131)(H,126,132)(H,133,151)(H,134,152)(H,135,157)(H,136,158)(H,137,155)(H,138,156)(H,139,159)(H,140,160)(H4,121,122,127)(H4,123,124,128)/t77?,78?,79?,80?,93-,94-,95-,96-,97+,98+,99-,100-,101?,102?,103?,104?,105?,106?/m0/s1 | PDB
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGOMSH(7) from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50358559
(CHEMBL1923662)Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:11.19,7.7,22.30,wD:44.46,(13.28,5.22,;14.61,4.46,;15.94,5.22,;14.61,2.91,;13.27,2.14,;13.27,.61,;11.94,-.17,;11.94,-1.7,;10.61,-2.47,;9.27,-1.7,;9.27,-.16,;7.94,-2.47,;7.94,-4.01,;9.26,-4.78,;10.6,-4.01,;11.93,-4.79,;11.93,-6.33,;10.59,-7.09,;9.26,-6.32,;6.6,-1.7,;5.27,-2.47,;5.27,-4,;3.93,-1.69,;3.93,-.15,;5.27,.62,;6.74,.15,;7.63,1.42,;6.71,2.65,;5.25,2.15,;2.6,-2.46,;1.27,-1.7,;1.27,-.16,;-.06,-2.47,;-1.4,-1.7,;-2.73,-2.47,;-4.07,-1.7,;-4.07,-.16,;-5.39,.6,;-6.73,-.17,;-6.73,-1.72,;-5.38,-2.48,;13.27,-2.47,;13.27,-4.02,;14.6,-1.71,;15.94,-2.48,;15.94,-4.02,;17.27,-4.78,;18.52,-3.89,;19.76,-4.8,;19.28,-6.27,;20.04,-7.6,;19.27,-8.93,;17.73,-8.92,;16.96,-7.59,;17.74,-6.26,;17.27,-1.7,;18.61,-2.48,;17.27,-.17,)| Show InChI InChI=1S/C42H51N11O5/c43-38(55)34(22-29-24-48-32-17-8-7-16-31(29)32)52-39(56)33(18-10-20-47-42(44)45)51-40(57)35(21-28-13-5-2-6-14-28)53-41(58)36(23-30-25-46-26-49-30)50-37(54)19-9-15-27-11-3-1-4-12-27/h1-8,11-14,16-17,24-26,33-36,48H,9-10,15,18-23H2,(H2,43,55)(H,46,49)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,44,45,47)/t33-,34-,35+,36-/m0/s1 | PDB
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| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492974
(CHEMBL2415086)Show SMILES CC(=O)NCC(=O)NC(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)C(=O)NCCC(N)=O |r| Show InChI InChI=1S/C93H122N34O16/c1-55(128)108-48-79(132)121-93(90(143)105-37-30-76(94)129,31-14-35-103-80(133)51-126-49-60(122-124-126)26-28-77(130)113-74(42-62-46-101-53-111-62)88(141)119-72(38-56-16-4-2-5-17-56)86(139)115-68(24-12-33-106-91(97)98)84(137)117-70(82(95)135)40-58-44-109-66-22-10-8-20-64(58)66)32-15-36-104-81(134)52-127-50-61(123-125-127)27-29-78(131)114-75(43-63-47-102-54-112-63)89(142)120-73(39-57-18-6-3-7-19-57)87(140)116-69(25-13-34-107-92(99)100)85(138)118-71(83(96)136)41-59-45-110-67-23-11-9-21-65(59)67/h2-11,16-23,44-47,49-50,53-54,68-75,109-110H,12-15,24-43,48,51-52H2,1H3,(H2,94,129)(H2,95,135)(H2,96,136)(H,101,111)(H,102,112)(H,103,133)(H,104,134)(H,105,143)(H,108,128)(H,113,130)(H,114,131)(H,115,139)(H,116,140)(H,117,137)(H,118,138)(H,119,141)(H,120,142)(H,121,132)(H4,97,98,106)(H4,99,100,107)/t68-,69-,70-,71-,72+,73+,74-,75-/m0/s1 | PDB
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| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGO-NDP-alpha-MSH-NH2 from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50358561
(CHEMBL1923664)Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC#C)C(N)=O |r,wU:22.30,11.19,7.7,wD:44.46,62.66,(14.73,6.99,;16.06,6.21,;17.4,6.98,;16.06,4.67,;14.72,3.9,;14.72,2.37,;13.39,1.59,;13.39,.06,;12.05,-.71,;10.71,.06,;10.71,1.6,;9.39,-.7,;9.39,-2.25,;10.71,-3.02,;12.05,-2.25,;13.38,-3.03,;13.38,-4.57,;12.04,-5.33,;10.71,-4.56,;8.05,.06,;6.72,-.7,;6.72,-2.24,;5.38,.06,;5.38,1.61,;6.72,2.38,;8.2,1.91,;9.08,3.17,;8.16,4.41,;6.7,3.91,;4.05,-.7,;2.72,.06,;2.71,1.6,;1.38,-.71,;.05,.06,;-1.29,-.71,;-2.61,.05,;-2.62,1.59,;-3.94,2.37,;-5.28,1.59,;-5.28,.04,;-3.93,-.72,;14.72,-.71,;14.72,-2.26,;16.06,.05,;17.39,-.72,;17.39,-2.26,;18.71,-3.03,;19.97,-2.13,;21.21,-3.05,;20.73,-4.51,;21.49,-5.84,;20.72,-7.18,;19.18,-7.17,;18.41,-5.83,;19.19,-4.5,;18.71,.05,;18.71,1.59,;20.06,-.72,;21.39,.05,;22.73,-.71,;22.73,-2.25,;24.06,.05,;25.4,-.71,;25.4,-2.25,;26.73,-3.02,;26.73,-4.56,;28.07,-5.33,;28.07,-6.87,;26.74,-7.64,;25.4,-6.87,;26.74,-9.18,;25.4,-9.95,;25.4,-11.49,;24.07,-12.27,;22.73,-13.02,;26.73,.06,;28.06,-.71,;26.73,1.6,)| Show InChI InChI=1S/C56H72N14O8/c1-2-3-6-26-48(71)61-28-14-13-24-43(51(57)74)66-50(73)35-64-52(75)46(31-39-33-63-42-23-12-11-22-41(39)42)70-53(76)44(25-16-29-62-56(58)59)68-54(77)45(30-38-19-9-5-10-20-38)69-55(78)47(32-40-34-60-36-65-40)67-49(72)27-15-21-37-17-7-4-8-18-37/h1,4-5,7-12,17-20,22-23,33-34,36,43-47,63H,3,6,13-16,21,24-32,35H2,(H2,57,74)(H,60,65)(H,61,71)(H,64,75)(H,66,73)(H,67,72)(H,68,77)(H,69,78)(H,70,76)(H4,58,59,62)/t43-,44-,45+,46-,47-/m0/s1 | PDB
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| 254 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492968
(CHEMBL2415085)Show SMILES CC(=O)NCCCC(CCCNC(C)=O)(NC(=O)CNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)C(=O)NCCC(N)=O |r| Show InChI InChI=1S/C56H78N20O11/c1-34(77)62-22-9-19-56(20-10-23-63-35(2)78,54(87)64-24-18-46(57)79)73-48(81)30-67-49(82)32-76-31-38(74-75-76)16-17-47(80)69-45(27-39-29-61-33-68-39)53(86)72-44(25-36-11-4-3-5-12-36)52(85)70-42(15-8-21-65-55(59)60)51(84)71-43(50(58)83)26-37-28-66-41-14-7-6-13-40(37)41/h3-7,11-14,28-29,31,33,42-45,66H,8-10,15-27,30,32H2,1-2H3,(H2,57,79)(H2,58,83)(H,61,68)(H,62,77)(H,63,78)(H,64,87)(H,67,82)(H,69,80)(H,70,85)(H,71,84)(H,72,86)(H,73,81)(H4,59,60,65)/t42-,43-,44+,45-/m0/s1 | PDB
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| Article
PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGOMSH(7) from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50357058
(CHEMBL1917059)Show SMILES CCCCc1cn(CCCCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1 |r,wU:36.37,15.14,25.25,wD:47.48,(-11.47,-21.37,;-10.69,-20.03,;-9.15,-20.02,;-8.39,-18.69,;-6.85,-18.68,;-5.81,-19.81,;-4.41,-19.17,;-3.07,-19.92,;-1.74,-19.14,;-.4,-19.9,;.93,-19.11,;2.27,-19.87,;3.59,-19.08,;3.58,-17.54,;4.94,-19.84,;6.27,-19.07,;6.27,-17.53,;7.61,-16.75,;9.01,-17.39,;10.05,-16.07,;9.28,-14.91,;7.77,-15.22,;7.61,-19.84,;7.61,-21.38,;8.94,-19.07,;10.27,-19.84,;10.27,-21.38,;11.61,-22.15,;12.94,-21.39,;14.27,-22.16,;14.27,-23.7,;12.93,-24.47,;11.6,-23.7,;11.61,-19.07,;11.61,-17.54,;12.94,-19.84,;14.27,-19.08,;14.27,-17.54,;15.61,-16.77,;15.61,-15.23,;16.94,-14.46,;16.94,-12.92,;15.62,-12.15,;18.28,-12.15,;15.61,-19.85,;15.61,-21.39,;16.94,-19.08,;18.28,-19.85,;18.28,-21.39,;19.61,-22.16,;21.01,-21.54,;22.04,-22.69,;21.27,-24.02,;21.75,-25.48,;20.71,-26.63,;19.21,-26.31,;18.73,-24.84,;19.77,-23.7,;19.61,-19.08,;20.95,-19.85,;19.61,-17.54,;-4.59,-17.64,;-6.1,-17.33,)| Show InChI InChI=1S/C44H60N14O5/c1-2-3-15-31-27-58(57-56-31)21-11-5-8-19-39(59)52-38(24-32-26-48-28-51-32)43(63)55-37(22-29-13-6-4-7-14-29)42(62)53-35(18-12-20-49-44(46)47)41(61)54-36(40(45)60)23-30-25-50-34-17-10-9-16-33(30)34/h4,6-7,9-10,13-14,16-17,25-28,35-38,50H,2-3,5,8,11-12,15,18-24H2,1H3,(H2,45,60)(H,48,51)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H4,46,47,49)/t35-,36-,37+,38-/m0/s1 | PDB
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| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGOMSH(7) from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492976
(CHEMBL2415017)Show SMILES CC(C)C(O)CCC(C)C(O)CCC(C)C(O)CCC(OCCCCc1cn(CCCCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)C(C)CCC(O)C(C)CCC(O)C(C)C |r| Show InChI InChI=1S/C74H120N14O11/c1-47(2)63(89)31-27-49(5)65(91)33-29-51(7)67(93)35-36-68(52(8)30-34-66(92)50(6)28-32-64(90)48(3)4)99-39-18-16-22-55-45-88(87-86-55)38-17-10-13-26-69(94)82-62(42-56-44-78-46-81-56)73(98)85-61(40-53-20-11-9-12-21-53)72(97)83-59(25-19-37-79-74(76)77)71(96)84-60(70(75)95)41-54-43-80-58-24-15-14-23-57(54)58/h9,11-12,14-15,20-21,23-24,43-52,59-68,80,89-93H,10,13,16-19,22,25-42H2,1-8H3,(H2,75,95)(H,78,81)(H,82,94)(H,83,97)(H,84,96)(H,85,98)(H4,76,77,79)/t49?,50?,51?,52?,59-,60-,61+,62-,63?,64?,65?,66?,67?,68?/m0/s1 | PDB
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| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGOMSH(7) from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492973
(CHEMBL2415018)Show SMILES CC(C)C(O)CCC(C)C(O)CCC(C)C(CCC(O)C(C)CCC(O)C(C)CCC(OCCCCc1cn(CCCCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)C(C)C)OCCCCc1cn(CCCCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1 |r| Show InChI InChI=1S/C118H178N28O16/c1-75(2)101(147)49-45-77(5)103(149)51-47-80(8)106(162-60-28-24-36-86-72-146(144-142-86)58-26-12-18-44-108(152)134-100(66-88-70-126-74-132-88)116(160)140-98(62-82-33-15-10-16-34-82)114(158)136-94(42-30-56-128-118(123)124)112(156)138-96(110(120)154)64-84-68-130-92-40-22-20-38-90(84)92)54-52-104(150)78(6)46-50-102(148)79(7)48-53-105(76(3)4)161-59-27-23-35-85-71-145(143-141-85)57-25-11-17-43-107(151)133-99(65-87-69-125-73-131-87)115(159)139-97(61-81-31-13-9-14-32-81)113(157)135-93(41-29-55-127-117(121)122)111(155)137-95(109(119)153)63-83-67-129-91-39-21-19-37-89(83)91/h9-10,13-16,19-22,31-34,37-40,67-80,93-106,129-130,147-150H,11-12,17-18,23-30,35-36,41-66H2,1-8H3,(H2,119,153)(H2,120,154)(H,125,131)(H,126,132)(H,133,151)(H,134,152)(H,135,157)(H,136,158)(H,137,155)(H,138,156)(H,139,159)(H,140,160)(H4,121,122,127)(H4,123,124,128)/t77?,78?,79?,80?,93-,94-,95-,96-,97+,98+,99-,100-,101?,102?,103?,104?,105?,106?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGO-NDP-alpha-MSH-NH2 from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50358560
(CHEMBL1923663)Show SMILES CC(=O)N[C@@H](CCc1ccccc1)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(N)=O |r,wU:26.27,37.39,16.16,wD:48.50,4.3,(-5.47,-21.29,;-4.14,-22.06,;-4.14,-23.6,;-2.81,-21.28,;-1.47,-22.05,;-1.47,-23.59,;-.13,-24.36,;-.13,-25.9,;-1.46,-26.66,;-1.46,-28.2,;-.12,-28.97,;1.21,-28.19,;1.2,-26.66,;-.14,-21.28,;-.14,-19.74,;1.2,-22.05,;2.52,-21.28,;2.52,-19.74,;3.86,-18.96,;5.34,-19.43,;6.22,-18.17,;5.3,-16.94,;3.84,-17.43,;3.86,-22.05,;3.86,-23.59,;5.19,-21.28,;6.53,-22.05,;6.53,-23.59,;7.86,-24.36,;9.19,-23.6,;10.53,-24.37,;10.52,-25.91,;9.19,-26.68,;7.85,-25.91,;7.86,-21.28,;7.86,-19.75,;9.2,-22.05,;10.53,-21.29,;10.53,-19.75,;11.86,-18.98,;11.86,-17.44,;13.2,-16.67,;13.2,-15.13,;11.87,-14.36,;14.54,-14.36,;11.86,-22.06,;11.86,-23.6,;13.19,-21.29,;14.53,-22.06,;14.53,-23.6,;15.86,-24.37,;17.11,-23.48,;18.35,-24.39,;17.87,-25.85,;18.64,-27.18,;17.86,-28.52,;16.32,-28.51,;15.55,-27.17,;16.33,-25.84,;15.86,-21.29,;17.2,-22.06,;15.86,-19.75,)| Show InChI InChI=1S/C44H54N12O6/c1-27(57)52-35(19-18-28-11-4-2-5-12-28)41(60)56-38(23-31-25-48-26-51-31)43(62)55-37(21-29-13-6-3-7-14-29)42(61)53-34(17-10-20-49-44(46)47)40(59)54-36(39(45)58)22-30-24-50-33-16-9-8-15-32(30)33/h2-9,11-16,24-26,34-38,50H,10,17-23H2,1H3,(H2,45,58)(H,48,51)(H,52,57)(H,53,61)(H,54,59)(H,55,62)(H,56,60)(H4,46,47,49)/t34-,35-,36-,37+,38-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 988 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
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