Found 12 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 3' and Ligand = 'BDBM82411' 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 3
(Homo sapiens (Human)) | BDBM82411
(CAS_75921-69-6 | NDP-MSH)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.224 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala
Curated by PDSP Ki Database
| |
Eur J Pharmacol 288: 311-7 (1995)
Article DOI: 10.1016/0922-4106(95)90043-8
BindingDB Entry DOI: 10.7270/Q2M32T8H |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM82411
(CAS_75921-69-6 | NDP-MSH)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 3 receptor (hMC3R) |
Bioorg Med Chem Lett 13: 2647-50 (2003)
BindingDB Entry DOI: 10.7270/Q2474BD9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM82411
(CAS_75921-69-6 | NDP-MSH)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Medical Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human Melanocortin 3 receptor (hMC3R) |
J Med Chem 40: 1738-48 (1997)
Article DOI: 10.1021/jm960845e
BindingDB Entry DOI: 10.7270/Q29K4BWK |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM82411
(CAS_75921-69-6 | NDP-MSH)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from Melanocortin 3 receptor at 10 uM |
J Med Chem 40: 2133-9 (1997)
Article DOI: 10.1021/jm960840h
BindingDB Entry DOI: 10.7270/Q28K79R6 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM82411
(CAS_75921-69-6 | NDP-MSH)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibition of human Melanocortin 3 receptor |
J Med Chem 46: 3728-33 (2003)
Article DOI: 10.1021/jm030111j
BindingDB Entry DOI: 10.7270/Q2125TDT |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM82411
(CAS_75921-69-6 | NDP-MSH)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against Melanocortin 3 receptor |
J Med Chem 38: 3454-61 (1995)
BindingDB Entry DOI: 10.7270/Q2Z32094 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM82411
(CAS_75921-69-6 | NDP-MSH)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 75 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Compound was evaluated for its agonist activity on mouse melanocortin receptor 3 (mMC3R) stably expressed in HEK cells |
Bioorg Med Chem Lett 13: 2079-82 (2003)
BindingDB Entry DOI: 10.7270/Q2JD4XBW |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM82411
(CAS_75921-69-6 | NDP-MSH)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a |
University of Michigan Medical Center
Curated by ChEMBL
| Assay Description
Effective concentration that was able to generate 50% maximal intracellular cAMP in L-cells transfected with Melanocortin 3 receptor |
J Med Chem 40: 1738-48 (1997)
Article DOI: 10.1021/jm960845e
BindingDB Entry DOI: 10.7270/Q29K4BWK |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM82411
(CAS_75921-69-6 | NDP-MSH)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Effective concentration of peptide at 50% maximal cAMP generation |
J Med Chem 46: 3728-33 (2003)
Article DOI: 10.1021/jm030111j
BindingDB Entry DOI: 10.7270/Q2125TDT |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM82411
(CAS_75921-69-6 | NDP-MSH)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a |
University of Michigan Medical Center
Curated by ChEMBL
| Assay Description
effective concentration of peptide at 50% maximal cAMP accumulation on Melanocortin 3 receptor |
J Med Chem 40: 2133-9 (1997)
Article DOI: 10.1021/jm960840h
BindingDB Entry DOI: 10.7270/Q28K79R6 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM82411
(CAS_75921-69-6 | NDP-MSH)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 0.132 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Evaluated for agonist activity at cloned Melanocortin 3 receptor |
J Med Chem 38: 3454-61 (1995)
BindingDB Entry DOI: 10.7270/Q2Z32094 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM82411
(CAS_75921-69-6 | NDP-MSH)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 0.360 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC3R) |
Bioorg Med Chem Lett 13: 2647-50 (2003)
BindingDB Entry DOI: 10.7270/Q2474BD9 |
More data for this
Ligand-Target Pair | |
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