Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50019565 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50205745
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:36.38,9.8,62.66,wD:47.49,22.22,18.77,4.4,(-.77,-36.46,;.71,-36.07,;1.11,-34.58,;2.6,-34.18,;3,-32.7,;1.91,-31.61,;4.49,-32.3,;5.58,-33.39,;4.89,-30.81,;6.38,-30.41,;5.98,-31.9,;7.27,-32.74,;7.34,-34.28,;8.46,-31.78,;7.92,-30.34,;8.73,-29.1,;10.3,-29.11,;11.1,-27.78,;12.65,-27.81,;13.44,-26.45,;12.68,-25.09,;13.46,-23.77,;11.14,-25.08,;11.89,-23.74,;12.98,-22.65,;14.51,-22.87,;15.21,-21.49,;14.11,-20.41,;14.19,-18.88,;12.9,-18.04,;11.52,-18.75,;11.45,-20.28,;12.74,-21.11,;10.39,-23.81,;8.85,-23.8,;8.08,-25.12,;8.09,-22.46,;8.86,-21.13,;8.09,-19.79,;8.86,-18.46,;8.09,-17.13,;8.86,-15.8,;8.09,-14.46,;10.41,-15.8,;6.54,-22.46,;5.75,-23.79,;6.5,-25.12,;4.21,-23.77,;3.46,-22.43,;1.92,-22.41,;1.15,-23.73,;-.39,-23.71,;-1.15,-22.36,;-2.67,-22.35,;-3.43,-21.03,;-2.66,-19.7,;-1.12,-19.71,;-.37,-21.04,;1.18,-21.06,;3.25,-24.96,;3.99,-26.33,;5.7,-26.45,;3.37,-27.76,;1.83,-27.84,;.73,-28.93,;.96,-30.46,;-.42,-31.16,;-1.51,-30.06,;-.8,-28.68,;4.12,-29.09,;5.6,-29.05,;6.36,-27.71,;13.4,-29.16,;12.61,-30.47,;14.93,-29.18,)| Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC1R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50205745
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:36.38,9.8,62.66,wD:47.49,22.22,18.77,4.4,(-.77,-36.46,;.71,-36.07,;1.11,-34.58,;2.6,-34.18,;3,-32.7,;1.91,-31.61,;4.49,-32.3,;5.58,-33.39,;4.89,-30.81,;6.38,-30.41,;5.98,-31.9,;7.27,-32.74,;7.34,-34.28,;8.46,-31.78,;7.92,-30.34,;8.73,-29.1,;10.3,-29.11,;11.1,-27.78,;12.65,-27.81,;13.44,-26.45,;12.68,-25.09,;13.46,-23.77,;11.14,-25.08,;11.89,-23.74,;12.98,-22.65,;14.51,-22.87,;15.21,-21.49,;14.11,-20.41,;14.19,-18.88,;12.9,-18.04,;11.52,-18.75,;11.45,-20.28,;12.74,-21.11,;10.39,-23.81,;8.85,-23.8,;8.08,-25.12,;8.09,-22.46,;8.86,-21.13,;8.09,-19.79,;8.86,-18.46,;8.09,-17.13,;8.86,-15.8,;8.09,-14.46,;10.41,-15.8,;6.54,-22.46,;5.75,-23.79,;6.5,-25.12,;4.21,-23.77,;3.46,-22.43,;1.92,-22.41,;1.15,-23.73,;-.39,-23.71,;-1.15,-22.36,;-2.67,-22.35,;-3.43,-21.03,;-2.66,-19.7,;-1.12,-19.71,;-.37,-21.04,;1.18,-21.06,;3.25,-24.96,;3.99,-26.33,;5.7,-26.45,;3.37,-27.76,;1.83,-27.84,;.73,-28.93,;.96,-30.46,;-.42,-31.16,;-1.51,-30.06,;-.8,-28.68,;4.12,-29.09,;5.6,-29.05,;6.36,-27.71,;13.4,-29.16,;12.61,-30.47,;14.93,-29.18,)| Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC4R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50205745
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:36.38,9.8,62.66,wD:47.49,22.22,18.77,4.4,(-.77,-36.46,;.71,-36.07,;1.11,-34.58,;2.6,-34.18,;3,-32.7,;1.91,-31.61,;4.49,-32.3,;5.58,-33.39,;4.89,-30.81,;6.38,-30.41,;5.98,-31.9,;7.27,-32.74,;7.34,-34.28,;8.46,-31.78,;7.92,-30.34,;8.73,-29.1,;10.3,-29.11,;11.1,-27.78,;12.65,-27.81,;13.44,-26.45,;12.68,-25.09,;13.46,-23.77,;11.14,-25.08,;11.89,-23.74,;12.98,-22.65,;14.51,-22.87,;15.21,-21.49,;14.11,-20.41,;14.19,-18.88,;12.9,-18.04,;11.52,-18.75,;11.45,-20.28,;12.74,-21.11,;10.39,-23.81,;8.85,-23.8,;8.08,-25.12,;8.09,-22.46,;8.86,-21.13,;8.09,-19.79,;8.86,-18.46,;8.09,-17.13,;8.86,-15.8,;8.09,-14.46,;10.41,-15.8,;6.54,-22.46,;5.75,-23.79,;6.5,-25.12,;4.21,-23.77,;3.46,-22.43,;1.92,-22.41,;1.15,-23.73,;-.39,-23.71,;-1.15,-22.36,;-2.67,-22.35,;-3.43,-21.03,;-2.66,-19.7,;-1.12,-19.71,;-.37,-21.04,;1.18,-21.06,;3.25,-24.96,;3.99,-26.33,;5.7,-26.45,;3.37,-27.76,;1.83,-27.84,;.73,-28.93,;.96,-30.46,;-.42,-31.16,;-1.51,-30.06,;-.8,-28.68,;4.12,-29.09,;5.6,-29.05,;6.36,-27.71,;13.4,-29.16,;12.61,-30.47,;14.93,-29.18,)| Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC3R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50205745
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:36.38,9.8,62.66,wD:47.49,22.22,18.77,4.4,(-.77,-36.46,;.71,-36.07,;1.11,-34.58,;2.6,-34.18,;3,-32.7,;1.91,-31.61,;4.49,-32.3,;5.58,-33.39,;4.89,-30.81,;6.38,-30.41,;5.98,-31.9,;7.27,-32.74,;7.34,-34.28,;8.46,-31.78,;7.92,-30.34,;8.73,-29.1,;10.3,-29.11,;11.1,-27.78,;12.65,-27.81,;13.44,-26.45,;12.68,-25.09,;13.46,-23.77,;11.14,-25.08,;11.89,-23.74,;12.98,-22.65,;14.51,-22.87,;15.21,-21.49,;14.11,-20.41,;14.19,-18.88,;12.9,-18.04,;11.52,-18.75,;11.45,-20.28,;12.74,-21.11,;10.39,-23.81,;8.85,-23.8,;8.08,-25.12,;8.09,-22.46,;8.86,-21.13,;8.09,-19.79,;8.86,-18.46,;8.09,-17.13,;8.86,-15.8,;8.09,-14.46,;10.41,-15.8,;6.54,-22.46,;5.75,-23.79,;6.5,-25.12,;4.21,-23.77,;3.46,-22.43,;1.92,-22.41,;1.15,-23.73,;-.39,-23.71,;-1.15,-22.36,;-2.67,-22.35,;-3.43,-21.03,;-2.66,-19.7,;-1.12,-19.71,;-.37,-21.04,;1.18,-21.06,;3.25,-24.96,;3.99,-26.33,;5.7,-26.45,;3.37,-27.76,;1.83,-27.84,;.73,-28.93,;.96,-30.46,;-.42,-31.16,;-1.51,-30.06,;-.8,-28.68,;4.12,-29.09,;5.6,-29.05,;6.36,-27.71,;13.4,-29.16,;12.61,-30.47,;14.93,-29.18,)| Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC5R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50205746
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.76,4.4,(-2.07,-39.49,;-.59,-39.09,;-.18,-37.61,;1.3,-37.21,;1.7,-35.72,;.62,-34.63,;3.19,-35.33,;4.28,-36.42,;3.59,-33.84,;5.08,-33.44,;4.68,-34.93,;5.97,-35.77,;6.04,-37.3,;7.16,-34.81,;6.62,-33.37,;7.43,-32.13,;9,-32.14,;9.8,-30.8,;11.35,-30.84,;12.14,-29.47,;11.38,-28.12,;12.16,-26.8,;9.84,-28.11,;10.59,-26.77,;11.68,-25.67,;13.21,-25.9,;13.91,-24.52,;12.81,-23.44,;12.89,-21.91,;11.6,-21.07,;10.22,-21.78,;10.15,-23.31,;11.44,-24.14,;9.09,-26.84,;7.55,-26.82,;6.78,-28.15,;6.79,-25.48,;7.56,-24.16,;6.79,-22.82,;7.56,-21.49,;6.79,-20.16,;7.56,-18.83,;6.79,-17.49,;9.11,-18.83,;5.24,-25.49,;4.45,-26.82,;5.2,-28.15,;2.91,-26.8,;2.16,-25.46,;.62,-25.44,;-.12,-24.09,;-1.66,-24.06,;-2.44,-25.39,;-3.98,-25.37,;-1.69,-26.74,;-.15,-26.75,;1.96,-27.99,;.43,-27.7,;-.74,-28.71,;-2.11,-28.01,;-3.42,-28.84,;-3.34,-30.39,;-1.96,-31.09,;-.67,-30.26,;.58,-31.18,;2.07,-30.78,;2.82,-32.12,;4.3,-32.08,;5.06,-30.74,;2.69,-29.36,;4.4,-29.48,;12.09,-32.18,;11.31,-33.5,;13.63,-32.21,)| Show InChI InChI=1S/C52H68ClN13O8/c1-2-3-14-36(54)46(69)63-41-27-44(67)58-22-9-8-16-38(45(55)68)61-48(71)40(26-33-28-60-37-15-7-6-13-35(33)37)64-47(70)39(17-10-23-59-52(56)57)62-50(73)43(24-30-18-20-34(53)21-19-30)66-29-32-12-5-4-11-31(32)25-42(51(66)74)65-49(41)72/h4-7,11-13,15,18-21,28,36,38-43,60H,2-3,8-10,14,16-17,22-27,29,54H2,1H3,(H2,55,68)(H,58,67)(H,61,71)(H,62,73)(H,63,69)(H,64,70)(H,65,72)(H4,56,57,59)/t36-,38-,39-,40-,41-,42?,43+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC3R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50205744
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.80,4.4,(-4.16,-15.01,;-2.68,-14.61,;-2.28,-13.13,;-.79,-12.73,;-.39,-11.24,;-1.48,-10.15,;1.1,-10.85,;2.19,-11.94,;1.5,-9.36,;2.99,-8.96,;2.59,-10.45,;3.88,-11.29,;3.95,-12.82,;5.07,-10.33,;4.53,-8.89,;5.34,-7.65,;6.91,-7.66,;7.71,-6.32,;9.25,-6.36,;10.05,-5,;9.29,-3.64,;10.06,-2.32,;7.74,-3.63,;8.5,-2.29,;9.59,-1.19,;11.12,-1.42,;11.81,-.04,;10.72,1.04,;10.79,2.57,;9.5,3.41,;8.13,2.7,;8.06,1.17,;9.35,.34,;7,-2.36,;5.46,-2.34,;4.69,-3.67,;4.69,-1,;5.47,.32,;4.7,1.66,;5.47,2.99,;4.7,4.32,;5.47,5.65,;4.7,6.99,;7.01,5.65,;3.15,-1.01,;2.36,-2.34,;3.11,-3.67,;.82,-2.32,;.07,-.98,;-1.47,-.96,;-2.24,-2.27,;-3.78,-2.26,;-4.54,-.91,;-6.07,-.9,;-6.83,.43,;-6.05,1.77,;-4.51,1.76,;-3.75,.42,;-2.21,.39,;-.14,-3.51,;-1.66,-3.22,;-2.83,-4.23,;-4.2,-3.53,;-5.51,-4.36,;-5.43,-5.91,;-4.06,-6.61,;-2.76,-5.78,;-1.51,-6.7,;-.02,-6.3,;.73,-7.64,;2.21,-7.6,;2.96,-6.26,;.59,-4.88,;2.3,-5,;10,-7.7,;9.21,-9.02,;11.54,-7.73,)| Show InChI InChI=1S/C56H71N13O8/c1-2-3-18-40(57)50(72)66-45-30-48(70)61-24-11-10-20-42(49(58)71)64-52(74)44(29-38-31-63-41-19-9-8-17-39(38)41)67-51(73)43(21-12-25-62-56(59)60)65-54(76)47(27-33-22-23-34-13-4-5-14-35(34)26-33)69-32-37-16-7-6-15-36(37)28-46(55(69)77)68-53(45)75/h4-9,13-17,19,22-23,26,31,40,42-47,63H,2-3,10-12,18,20-21,24-25,27-30,32,57H2,1H3,(H2,58,71)(H,61,70)(H,64,74)(H,65,76)(H,66,72)(H,67,73)(H,68,75)(H4,59,60,62)/t40-,42-,43-,44-,45-,46?,47+/m0/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC3R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50205743
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-2-b...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.75,4.4,(-1.38,-16.95,;.11,-16.56,;.51,-15.07,;1.99,-14.67,;2.4,-13.19,;1.31,-12.1,;3.88,-12.79,;4.97,-13.88,;4.28,-11.3,;5.77,-10.91,;5.37,-12.39,;6.66,-13.23,;6.73,-14.77,;7.85,-12.27,;7.32,-10.83,;8.13,-9.59,;9.69,-9.6,;10.5,-8.27,;12.04,-8.31,;12.83,-6.94,;12.07,-5.59,;12.85,-4.26,;10.53,-5.57,;11.29,-4.23,;12.37,-3.14,;13.9,-3.37,;14.6,-1.99,;13.51,-.91,;13.58,.63,;12.29,1.47,;10.91,.76,;10.84,-.77,;12.13,-1.6,;9.79,-4.3,;8.24,-4.29,;7.47,-5.62,;7.48,-2.95,;8.25,-1.62,;7.48,-.29,;8.25,1.04,;7.48,2.38,;8.25,3.71,;7.49,5.04,;9.8,3.7,;5.94,-2.95,;5.14,-4.28,;5.89,-5.62,;3.6,-4.27,;2.85,-2.92,;1.31,-2.9,;.57,-1.55,;-.97,-1.53,;-1.75,-2.86,;-1,-4.2,;.54,-4.22,;2.65,-5.45,;1.12,-5.17,;-.05,-6.17,;-1.42,-5.47,;-2.73,-6.31,;-2.65,-7.86,;-1.27,-8.56,;.02,-7.72,;1.27,-8.64,;2.76,-8.25,;3.52,-9.58,;5,-9.54,;5.75,-8.2,;3.38,-6.82,;5.09,-6.94,;12.79,-9.65,;12,-10.97,;14.32,-9.67,)| Show InChI InChI=1S/C52H69N13O8/c1-2-3-19-36(53)46(68)62-41-28-44(66)57-23-12-11-21-38(45(54)67)60-48(70)40(27-34-29-59-37-20-10-9-18-35(34)37)63-47(69)39(22-13-24-58-52(55)56)61-50(72)43(25-31-14-5-4-6-15-31)65-30-33-17-8-7-16-32(33)26-42(51(65)73)64-49(41)71/h4-10,14-18,20,29,36,38-43,59H,2-3,11-13,19,21-28,30,53H2,1H3,(H2,54,67)(H,57,66)(H,60,70)(H,61,72)(H,62,68)(H,63,69)(H,64,71)(H4,55,56,58)/t36-,38-,39-,40-,41-,42?,43+/m0/s1 | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC3R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50205744
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.80,4.4,(-4.16,-15.01,;-2.68,-14.61,;-2.28,-13.13,;-.79,-12.73,;-.39,-11.24,;-1.48,-10.15,;1.1,-10.85,;2.19,-11.94,;1.5,-9.36,;2.99,-8.96,;2.59,-10.45,;3.88,-11.29,;3.95,-12.82,;5.07,-10.33,;4.53,-8.89,;5.34,-7.65,;6.91,-7.66,;7.71,-6.32,;9.25,-6.36,;10.05,-5,;9.29,-3.64,;10.06,-2.32,;7.74,-3.63,;8.5,-2.29,;9.59,-1.19,;11.12,-1.42,;11.81,-.04,;10.72,1.04,;10.79,2.57,;9.5,3.41,;8.13,2.7,;8.06,1.17,;9.35,.34,;7,-2.36,;5.46,-2.34,;4.69,-3.67,;4.69,-1,;5.47,.32,;4.7,1.66,;5.47,2.99,;4.7,4.32,;5.47,5.65,;4.7,6.99,;7.01,5.65,;3.15,-1.01,;2.36,-2.34,;3.11,-3.67,;.82,-2.32,;.07,-.98,;-1.47,-.96,;-2.24,-2.27,;-3.78,-2.26,;-4.54,-.91,;-6.07,-.9,;-6.83,.43,;-6.05,1.77,;-4.51,1.76,;-3.75,.42,;-2.21,.39,;-.14,-3.51,;-1.66,-3.22,;-2.83,-4.23,;-4.2,-3.53,;-5.51,-4.36,;-5.43,-5.91,;-4.06,-6.61,;-2.76,-5.78,;-1.51,-6.7,;-.02,-6.3,;.73,-7.64,;2.21,-7.6,;2.96,-6.26,;.59,-4.88,;2.3,-5,;10,-7.7,;9.21,-9.02,;11.54,-7.73,)| Show InChI InChI=1S/C56H71N13O8/c1-2-3-18-40(57)50(72)66-45-30-48(70)61-24-11-10-20-42(49(58)71)64-52(74)44(29-38-31-63-41-19-9-8-17-39(38)41)67-51(73)43(21-12-25-62-56(59)60)65-54(76)47(27-33-22-23-34-13-4-5-14-35(34)26-33)69-32-37-16-7-6-15-36(37)28-46(55(69)77)68-53(45)75/h4-9,13-17,19,22-23,26,31,40,42-47,63H,2-3,10-12,18,20-21,24-25,27-30,32,57H2,1H3,(H2,58,71)(H,61,70)(H,64,74)(H,65,76)(H,66,72)(H,67,73)(H,68,75)(H4,59,60,62)/t40-,42-,43-,44-,45-,46?,47+/m0/s1 | PDB
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| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC5R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50205746
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.76,4.4,(-2.07,-39.49,;-.59,-39.09,;-.18,-37.61,;1.3,-37.21,;1.7,-35.72,;.62,-34.63,;3.19,-35.33,;4.28,-36.42,;3.59,-33.84,;5.08,-33.44,;4.68,-34.93,;5.97,-35.77,;6.04,-37.3,;7.16,-34.81,;6.62,-33.37,;7.43,-32.13,;9,-32.14,;9.8,-30.8,;11.35,-30.84,;12.14,-29.47,;11.38,-28.12,;12.16,-26.8,;9.84,-28.11,;10.59,-26.77,;11.68,-25.67,;13.21,-25.9,;13.91,-24.52,;12.81,-23.44,;12.89,-21.91,;11.6,-21.07,;10.22,-21.78,;10.15,-23.31,;11.44,-24.14,;9.09,-26.84,;7.55,-26.82,;6.78,-28.15,;6.79,-25.48,;7.56,-24.16,;6.79,-22.82,;7.56,-21.49,;6.79,-20.16,;7.56,-18.83,;6.79,-17.49,;9.11,-18.83,;5.24,-25.49,;4.45,-26.82,;5.2,-28.15,;2.91,-26.8,;2.16,-25.46,;.62,-25.44,;-.12,-24.09,;-1.66,-24.06,;-2.44,-25.39,;-3.98,-25.37,;-1.69,-26.74,;-.15,-26.75,;1.96,-27.99,;.43,-27.7,;-.74,-28.71,;-2.11,-28.01,;-3.42,-28.84,;-3.34,-30.39,;-1.96,-31.09,;-.67,-30.26,;.58,-31.18,;2.07,-30.78,;2.82,-32.12,;4.3,-32.08,;5.06,-30.74,;2.69,-29.36,;4.4,-29.48,;12.09,-32.18,;11.31,-33.5,;13.63,-32.21,)| Show InChI InChI=1S/C52H68ClN13O8/c1-2-3-14-36(54)46(69)63-41-27-44(67)58-22-9-8-16-38(45(55)68)61-48(71)40(26-33-28-60-37-15-7-6-13-35(33)37)64-47(70)39(17-10-23-59-52(56)57)62-50(73)43(24-30-18-20-34(53)21-19-30)66-29-32-12-5-4-11-31(32)25-42(51(66)74)65-49(41)72/h4-7,11-13,15,18-21,28,36,38-43,60H,2-3,8-10,14,16-17,22-27,29,54H2,1H3,(H2,55,68)(H,58,67)(H,61,71)(H,62,73)(H,63,69)(H,64,70)(H,65,72)(H4,56,57,59)/t36-,38-,39-,40-,41-,42?,43+/m0/s1 | PDB
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| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC5R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50205744
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.80,4.4,(-4.16,-15.01,;-2.68,-14.61,;-2.28,-13.13,;-.79,-12.73,;-.39,-11.24,;-1.48,-10.15,;1.1,-10.85,;2.19,-11.94,;1.5,-9.36,;2.99,-8.96,;2.59,-10.45,;3.88,-11.29,;3.95,-12.82,;5.07,-10.33,;4.53,-8.89,;5.34,-7.65,;6.91,-7.66,;7.71,-6.32,;9.25,-6.36,;10.05,-5,;9.29,-3.64,;10.06,-2.32,;7.74,-3.63,;8.5,-2.29,;9.59,-1.19,;11.12,-1.42,;11.81,-.04,;10.72,1.04,;10.79,2.57,;9.5,3.41,;8.13,2.7,;8.06,1.17,;9.35,.34,;7,-2.36,;5.46,-2.34,;4.69,-3.67,;4.69,-1,;5.47,.32,;4.7,1.66,;5.47,2.99,;4.7,4.32,;5.47,5.65,;4.7,6.99,;7.01,5.65,;3.15,-1.01,;2.36,-2.34,;3.11,-3.67,;.82,-2.32,;.07,-.98,;-1.47,-.96,;-2.24,-2.27,;-3.78,-2.26,;-4.54,-.91,;-6.07,-.9,;-6.83,.43,;-6.05,1.77,;-4.51,1.76,;-3.75,.42,;-2.21,.39,;-.14,-3.51,;-1.66,-3.22,;-2.83,-4.23,;-4.2,-3.53,;-5.51,-4.36,;-5.43,-5.91,;-4.06,-6.61,;-2.76,-5.78,;-1.51,-6.7,;-.02,-6.3,;.73,-7.64,;2.21,-7.6,;2.96,-6.26,;.59,-4.88,;2.3,-5,;10,-7.7,;9.21,-9.02,;11.54,-7.73,)| Show InChI InChI=1S/C56H71N13O8/c1-2-3-18-40(57)50(72)66-45-30-48(70)61-24-11-10-20-42(49(58)71)64-52(74)44(29-38-31-63-41-19-9-8-17-39(38)41)67-51(73)43(21-12-25-62-56(59)60)65-54(76)47(27-33-22-23-34-13-4-5-14-35(34)26-33)69-32-37-16-7-6-15-36(37)28-46(55(69)77)68-53(45)75/h4-9,13-17,19,22-23,26,31,40,42-47,63H,2-3,10-12,18,20-21,24-25,27-30,32,57H2,1H3,(H2,58,71)(H,61,70)(H,64,74)(H,65,76)(H,66,72)(H,67,73)(H,68,75)(H4,59,60,62)/t40-,42-,43-,44-,45-,46?,47+/m0/s1 | PDB
KEGG
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| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC1R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50205746
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.76,4.4,(-2.07,-39.49,;-.59,-39.09,;-.18,-37.61,;1.3,-37.21,;1.7,-35.72,;.62,-34.63,;3.19,-35.33,;4.28,-36.42,;3.59,-33.84,;5.08,-33.44,;4.68,-34.93,;5.97,-35.77,;6.04,-37.3,;7.16,-34.81,;6.62,-33.37,;7.43,-32.13,;9,-32.14,;9.8,-30.8,;11.35,-30.84,;12.14,-29.47,;11.38,-28.12,;12.16,-26.8,;9.84,-28.11,;10.59,-26.77,;11.68,-25.67,;13.21,-25.9,;13.91,-24.52,;12.81,-23.44,;12.89,-21.91,;11.6,-21.07,;10.22,-21.78,;10.15,-23.31,;11.44,-24.14,;9.09,-26.84,;7.55,-26.82,;6.78,-28.15,;6.79,-25.48,;7.56,-24.16,;6.79,-22.82,;7.56,-21.49,;6.79,-20.16,;7.56,-18.83,;6.79,-17.49,;9.11,-18.83,;5.24,-25.49,;4.45,-26.82,;5.2,-28.15,;2.91,-26.8,;2.16,-25.46,;.62,-25.44,;-.12,-24.09,;-1.66,-24.06,;-2.44,-25.39,;-3.98,-25.37,;-1.69,-26.74,;-.15,-26.75,;1.96,-27.99,;.43,-27.7,;-.74,-28.71,;-2.11,-28.01,;-3.42,-28.84,;-3.34,-30.39,;-1.96,-31.09,;-.67,-30.26,;.58,-31.18,;2.07,-30.78,;2.82,-32.12,;4.3,-32.08,;5.06,-30.74,;2.69,-29.36,;4.4,-29.48,;12.09,-32.18,;11.31,-33.5,;13.63,-32.21,)| Show InChI InChI=1S/C52H68ClN13O8/c1-2-3-14-36(54)46(69)63-41-27-44(67)58-22-9-8-16-38(45(55)68)61-48(71)40(26-33-28-60-37-15-7-6-13-35(33)37)64-47(70)39(17-10-23-59-52(56)57)62-50(73)43(24-30-18-20-34(53)21-19-30)66-29-32-12-5-4-11-31(32)25-42(51(66)74)65-49(41)72/h4-7,11-13,15,18-21,28,36,38-43,60H,2-3,8-10,14,16-17,22-27,29,54H2,1H3,(H2,55,68)(H,58,67)(H,61,71)(H,62,73)(H,63,69)(H,64,70)(H,65,72)(H4,56,57,59)/t36-,38-,39-,40-,41-,42?,43+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC1R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50205744
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.80,4.4,(-4.16,-15.01,;-2.68,-14.61,;-2.28,-13.13,;-.79,-12.73,;-.39,-11.24,;-1.48,-10.15,;1.1,-10.85,;2.19,-11.94,;1.5,-9.36,;2.99,-8.96,;2.59,-10.45,;3.88,-11.29,;3.95,-12.82,;5.07,-10.33,;4.53,-8.89,;5.34,-7.65,;6.91,-7.66,;7.71,-6.32,;9.25,-6.36,;10.05,-5,;9.29,-3.64,;10.06,-2.32,;7.74,-3.63,;8.5,-2.29,;9.59,-1.19,;11.12,-1.42,;11.81,-.04,;10.72,1.04,;10.79,2.57,;9.5,3.41,;8.13,2.7,;8.06,1.17,;9.35,.34,;7,-2.36,;5.46,-2.34,;4.69,-3.67,;4.69,-1,;5.47,.32,;4.7,1.66,;5.47,2.99,;4.7,4.32,;5.47,5.65,;4.7,6.99,;7.01,5.65,;3.15,-1.01,;2.36,-2.34,;3.11,-3.67,;.82,-2.32,;.07,-.98,;-1.47,-.96,;-2.24,-2.27,;-3.78,-2.26,;-4.54,-.91,;-6.07,-.9,;-6.83,.43,;-6.05,1.77,;-4.51,1.76,;-3.75,.42,;-2.21,.39,;-.14,-3.51,;-1.66,-3.22,;-2.83,-4.23,;-4.2,-3.53,;-5.51,-4.36,;-5.43,-5.91,;-4.06,-6.61,;-2.76,-5.78,;-1.51,-6.7,;-.02,-6.3,;.73,-7.64,;2.21,-7.6,;2.96,-6.26,;.59,-4.88,;2.3,-5,;10,-7.7,;9.21,-9.02,;11.54,-7.73,)| Show InChI InChI=1S/C56H71N13O8/c1-2-3-18-40(57)50(72)66-45-30-48(70)61-24-11-10-20-42(49(58)71)64-52(74)44(29-38-31-63-41-19-9-8-17-39(38)41)67-51(73)43(21-12-25-62-56(59)60)65-54(76)47(27-33-22-23-34-13-4-5-14-35(34)26-33)69-32-37-16-7-6-15-36(37)28-46(55(69)77)68-53(45)75/h4-9,13-17,19,22-23,26,31,40,42-47,63H,2-3,10-12,18,20-21,24-25,27-30,32,57H2,1H3,(H2,58,71)(H,61,70)(H,64,74)(H,65,76)(H,66,72)(H,67,73)(H,68,75)(H4,59,60,62)/t40-,42-,43-,44-,45-,46?,47+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC4R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50205746
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.76,4.4,(-2.07,-39.49,;-.59,-39.09,;-.18,-37.61,;1.3,-37.21,;1.7,-35.72,;.62,-34.63,;3.19,-35.33,;4.28,-36.42,;3.59,-33.84,;5.08,-33.44,;4.68,-34.93,;5.97,-35.77,;6.04,-37.3,;7.16,-34.81,;6.62,-33.37,;7.43,-32.13,;9,-32.14,;9.8,-30.8,;11.35,-30.84,;12.14,-29.47,;11.38,-28.12,;12.16,-26.8,;9.84,-28.11,;10.59,-26.77,;11.68,-25.67,;13.21,-25.9,;13.91,-24.52,;12.81,-23.44,;12.89,-21.91,;11.6,-21.07,;10.22,-21.78,;10.15,-23.31,;11.44,-24.14,;9.09,-26.84,;7.55,-26.82,;6.78,-28.15,;6.79,-25.48,;7.56,-24.16,;6.79,-22.82,;7.56,-21.49,;6.79,-20.16,;7.56,-18.83,;6.79,-17.49,;9.11,-18.83,;5.24,-25.49,;4.45,-26.82,;5.2,-28.15,;2.91,-26.8,;2.16,-25.46,;.62,-25.44,;-.12,-24.09,;-1.66,-24.06,;-2.44,-25.39,;-3.98,-25.37,;-1.69,-26.74,;-.15,-26.75,;1.96,-27.99,;.43,-27.7,;-.74,-28.71,;-2.11,-28.01,;-3.42,-28.84,;-3.34,-30.39,;-1.96,-31.09,;-.67,-30.26,;.58,-31.18,;2.07,-30.78,;2.82,-32.12,;4.3,-32.08,;5.06,-30.74,;2.69,-29.36,;4.4,-29.48,;12.09,-32.18,;11.31,-33.5,;13.63,-32.21,)| Show InChI InChI=1S/C52H68ClN13O8/c1-2-3-14-36(54)46(69)63-41-27-44(67)58-22-9-8-16-38(45(55)68)61-48(71)40(26-33-28-60-37-15-7-6-13-35(33)37)64-47(70)39(17-10-23-59-52(56)57)62-50(73)43(24-30-18-20-34(53)21-19-30)66-29-32-12-5-4-11-31(32)25-42(51(66)74)65-49(41)72/h4-7,11-13,15,18-21,28,36,38-43,60H,2-3,8-10,14,16-17,22-27,29,54H2,1H3,(H2,55,68)(H,58,67)(H,61,71)(H,62,73)(H,63,69)(H,64,70)(H,65,72)(H4,56,57,59)/t36-,38-,39-,40-,41-,42?,43+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC4R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50205743
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-2-b...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.75,4.4,(-1.38,-16.95,;.11,-16.56,;.51,-15.07,;1.99,-14.67,;2.4,-13.19,;1.31,-12.1,;3.88,-12.79,;4.97,-13.88,;4.28,-11.3,;5.77,-10.91,;5.37,-12.39,;6.66,-13.23,;6.73,-14.77,;7.85,-12.27,;7.32,-10.83,;8.13,-9.59,;9.69,-9.6,;10.5,-8.27,;12.04,-8.31,;12.83,-6.94,;12.07,-5.59,;12.85,-4.26,;10.53,-5.57,;11.29,-4.23,;12.37,-3.14,;13.9,-3.37,;14.6,-1.99,;13.51,-.91,;13.58,.63,;12.29,1.47,;10.91,.76,;10.84,-.77,;12.13,-1.6,;9.79,-4.3,;8.24,-4.29,;7.47,-5.62,;7.48,-2.95,;8.25,-1.62,;7.48,-.29,;8.25,1.04,;7.48,2.38,;8.25,3.71,;7.49,5.04,;9.8,3.7,;5.94,-2.95,;5.14,-4.28,;5.89,-5.62,;3.6,-4.27,;2.85,-2.92,;1.31,-2.9,;.57,-1.55,;-.97,-1.53,;-1.75,-2.86,;-1,-4.2,;.54,-4.22,;2.65,-5.45,;1.12,-5.17,;-.05,-6.17,;-1.42,-5.47,;-2.73,-6.31,;-2.65,-7.86,;-1.27,-8.56,;.02,-7.72,;1.27,-8.64,;2.76,-8.25,;3.52,-9.58,;5,-9.54,;5.75,-8.2,;3.38,-6.82,;5.09,-6.94,;12.79,-9.65,;12,-10.97,;14.32,-9.67,)| Show InChI InChI=1S/C52H69N13O8/c1-2-3-19-36(53)46(68)62-41-28-44(66)57-23-12-11-21-38(45(54)67)60-48(70)40(27-34-29-59-37-20-10-9-18-35(34)37)63-47(69)39(22-13-24-58-52(55)56)61-50(72)43(25-31-14-5-4-6-15-31)65-30-33-17-8-7-16-32(33)26-42(51(65)73)64-49(41)71/h4-10,14-18,20,29,36,38-43,59H,2-3,11-13,19,21-28,30,53H2,1H3,(H2,54,67)(H,57,66)(H,60,70)(H,61,72)(H,62,68)(H,63,69)(H,64,71)(H4,55,56,58)/t36-,38-,39-,40-,41-,42?,43+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC5R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50205742
((S)-3-((R)-2-acetamidohexanamido)-4-(2-((S)-1-((S)...)Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NC1Cc2ccccc2CN([C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O |wU:4.4,52.53,30.30,wD:41.42,66.69,12.11,(.82,-15.62,;-.68,-15.22,;-1.08,-13.74,;-2.57,-13.35,;-2.98,-11.87,;-4.47,-11.48,;-5.56,-12.59,;-7.07,-12.19,;-5.15,-14.09,;-1.9,-10.77,;-.41,-11.16,;-2.3,-9.29,;-1.22,-8.19,;.27,-8.58,;1.35,-7.49,;2.84,-7.88,;.94,-6,;-1.63,-6.71,;-3.13,-6.4,;-.6,-5.56,;-1.09,-4.1,;-2.83,-3.88,;-3.67,-2.43,;-5.34,-2.71,;-6.42,-1.4,;-5.82,.18,;-4.13,.46,;-3.07,-.85,;-1.47,-.32,;-.07,-1.27,;1.26,-.5,;1.25,1.05,;2.58,1.82,;3.9,1.06,;5.23,1.84,;5.22,3.38,;3.88,4.14,;2.56,3.36,;2.6,-1.26,;2.6,-2.8,;3.92,-.48,;5.27,-1.24,;5.27,-2.78,;6.61,-3.55,;6.61,-5.08,;7.95,-5.84,;7.96,-7.39,;6.63,-8.16,;9.3,-8.15,;6.59,-.47,;6.58,1.07,;7.93,-1.23,;9.25,-.45,;9.25,1.09,;10.57,1.86,;11.92,1.38,;12.92,2.55,;12.12,3.86,;12.57,5.32,;11.52,6.45,;10.02,6.09,;9.57,4.63,;10.62,3.5,;10.59,-1.22,;10.6,-2.75,;11.92,-.44,;13.26,-1.2,;13.27,-2.74,;14.6,-3.5,;14.61,-5.04,;15.95,-5.8,;15.96,-7.34,;14.59,-.42,;15.92,-1.18,;14.58,1.12,;.08,-2.96,;1.52,-3.5,)| Show InChI InChI=1S/C54H73N13O10/c1-3-4-20-40(61-32(2)68)48(72)65-43(29-46(69)70)51(75)66-44-27-34-17-8-9-18-35(34)31-67(53(44)77)45(26-33-15-6-5-7-16-33)52(76)63-41(23-14-25-59-54(57)58)49(73)64-42(28-36-30-60-38-21-11-10-19-37(36)38)50(74)62-39(47(56)71)22-12-13-24-55/h5-11,15-19,21,30,39-45,60H,3-4,12-14,20,22-29,31,55H2,1-2H3,(H2,56,71)(H,61,68)(H,62,74)(H,63,76)(H,64,73)(H,65,72)(H,66,75)(H,69,70)(H4,57,58,59)/t39-,40+,41-,42-,43-,44?,45-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC3R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50205742
((S)-3-((R)-2-acetamidohexanamido)-4-(2-((S)-1-((S)...)Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NC1Cc2ccccc2CN([C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O |wU:4.4,52.53,30.30,wD:41.42,66.69,12.11,(.82,-15.62,;-.68,-15.22,;-1.08,-13.74,;-2.57,-13.35,;-2.98,-11.87,;-4.47,-11.48,;-5.56,-12.59,;-7.07,-12.19,;-5.15,-14.09,;-1.9,-10.77,;-.41,-11.16,;-2.3,-9.29,;-1.22,-8.19,;.27,-8.58,;1.35,-7.49,;2.84,-7.88,;.94,-6,;-1.63,-6.71,;-3.13,-6.4,;-.6,-5.56,;-1.09,-4.1,;-2.83,-3.88,;-3.67,-2.43,;-5.34,-2.71,;-6.42,-1.4,;-5.82,.18,;-4.13,.46,;-3.07,-.85,;-1.47,-.32,;-.07,-1.27,;1.26,-.5,;1.25,1.05,;2.58,1.82,;3.9,1.06,;5.23,1.84,;5.22,3.38,;3.88,4.14,;2.56,3.36,;2.6,-1.26,;2.6,-2.8,;3.92,-.48,;5.27,-1.24,;5.27,-2.78,;6.61,-3.55,;6.61,-5.08,;7.95,-5.84,;7.96,-7.39,;6.63,-8.16,;9.3,-8.15,;6.59,-.47,;6.58,1.07,;7.93,-1.23,;9.25,-.45,;9.25,1.09,;10.57,1.86,;11.92,1.38,;12.92,2.55,;12.12,3.86,;12.57,5.32,;11.52,6.45,;10.02,6.09,;9.57,4.63,;10.62,3.5,;10.59,-1.22,;10.6,-2.75,;11.92,-.44,;13.26,-1.2,;13.27,-2.74,;14.6,-3.5,;14.61,-5.04,;15.95,-5.8,;15.96,-7.34,;14.59,-.42,;15.92,-1.18,;14.58,1.12,;.08,-2.96,;1.52,-3.5,)| Show InChI InChI=1S/C54H73N13O10/c1-3-4-20-40(61-32(2)68)48(72)65-43(29-46(69)70)51(75)66-44-27-34-17-8-9-18-35(34)31-67(53(44)77)45(26-33-15-6-5-7-16-33)52(76)63-41(23-14-25-59-54(57)58)49(73)64-42(28-36-30-60-38-21-11-10-19-37(36)38)50(74)62-39(47(56)71)22-12-13-24-55/h5-11,15-19,21,30,39-45,60H,3-4,12-14,20,22-29,31,55H2,1-2H3,(H2,56,71)(H,61,68)(H,62,74)(H,63,76)(H,64,73)(H,65,72)(H,66,75)(H,69,70)(H4,57,58,59)/t39-,40+,41-,42-,43-,44?,45-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC5R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50205743
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-2-b...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.75,4.4,(-1.38,-16.95,;.11,-16.56,;.51,-15.07,;1.99,-14.67,;2.4,-13.19,;1.31,-12.1,;3.88,-12.79,;4.97,-13.88,;4.28,-11.3,;5.77,-10.91,;5.37,-12.39,;6.66,-13.23,;6.73,-14.77,;7.85,-12.27,;7.32,-10.83,;8.13,-9.59,;9.69,-9.6,;10.5,-8.27,;12.04,-8.31,;12.83,-6.94,;12.07,-5.59,;12.85,-4.26,;10.53,-5.57,;11.29,-4.23,;12.37,-3.14,;13.9,-3.37,;14.6,-1.99,;13.51,-.91,;13.58,.63,;12.29,1.47,;10.91,.76,;10.84,-.77,;12.13,-1.6,;9.79,-4.3,;8.24,-4.29,;7.47,-5.62,;7.48,-2.95,;8.25,-1.62,;7.48,-.29,;8.25,1.04,;7.48,2.38,;8.25,3.71,;7.49,5.04,;9.8,3.7,;5.94,-2.95,;5.14,-4.28,;5.89,-5.62,;3.6,-4.27,;2.85,-2.92,;1.31,-2.9,;.57,-1.55,;-.97,-1.53,;-1.75,-2.86,;-1,-4.2,;.54,-4.22,;2.65,-5.45,;1.12,-5.17,;-.05,-6.17,;-1.42,-5.47,;-2.73,-6.31,;-2.65,-7.86,;-1.27,-8.56,;.02,-7.72,;1.27,-8.64,;2.76,-8.25,;3.52,-9.58,;5,-9.54,;5.75,-8.2,;3.38,-6.82,;5.09,-6.94,;12.79,-9.65,;12,-10.97,;14.32,-9.67,)| Show InChI InChI=1S/C52H69N13O8/c1-2-3-19-36(53)46(68)62-41-28-44(66)57-23-12-11-21-38(45(54)67)60-48(70)40(27-34-29-59-37-20-10-9-18-35(34)37)63-47(69)39(22-13-24-58-52(55)56)61-50(72)43(25-31-14-5-4-6-15-31)65-30-33-17-8-7-16-32(33)26-42(51(65)73)64-49(41)71/h4-10,14-18,20,29,36,38-43,59H,2-3,11-13,19,21-28,30,53H2,1H3,(H2,54,67)(H,57,66)(H,60,70)(H,61,72)(H,62,68)(H,63,69)(H,64,71)(H4,55,56,58)/t36-,38-,39-,40-,41-,42?,43+/m0/s1 | PDB
KEGG
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC1R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50205742
((S)-3-((R)-2-acetamidohexanamido)-4-(2-((S)-1-((S)...)Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NC1Cc2ccccc2CN([C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O |wU:4.4,52.53,30.30,wD:41.42,66.69,12.11,(.82,-15.62,;-.68,-15.22,;-1.08,-13.74,;-2.57,-13.35,;-2.98,-11.87,;-4.47,-11.48,;-5.56,-12.59,;-7.07,-12.19,;-5.15,-14.09,;-1.9,-10.77,;-.41,-11.16,;-2.3,-9.29,;-1.22,-8.19,;.27,-8.58,;1.35,-7.49,;2.84,-7.88,;.94,-6,;-1.63,-6.71,;-3.13,-6.4,;-.6,-5.56,;-1.09,-4.1,;-2.83,-3.88,;-3.67,-2.43,;-5.34,-2.71,;-6.42,-1.4,;-5.82,.18,;-4.13,.46,;-3.07,-.85,;-1.47,-.32,;-.07,-1.27,;1.26,-.5,;1.25,1.05,;2.58,1.82,;3.9,1.06,;5.23,1.84,;5.22,3.38,;3.88,4.14,;2.56,3.36,;2.6,-1.26,;2.6,-2.8,;3.92,-.48,;5.27,-1.24,;5.27,-2.78,;6.61,-3.55,;6.61,-5.08,;7.95,-5.84,;7.96,-7.39,;6.63,-8.16,;9.3,-8.15,;6.59,-.47,;6.58,1.07,;7.93,-1.23,;9.25,-.45,;9.25,1.09,;10.57,1.86,;11.92,1.38,;12.92,2.55,;12.12,3.86,;12.57,5.32,;11.52,6.45,;10.02,6.09,;9.57,4.63,;10.62,3.5,;10.59,-1.22,;10.6,-2.75,;11.92,-.44,;13.26,-1.2,;13.27,-2.74,;14.6,-3.5,;14.61,-5.04,;15.95,-5.8,;15.96,-7.34,;14.59,-.42,;15.92,-1.18,;14.58,1.12,;.08,-2.96,;1.52,-3.5,)| Show InChI InChI=1S/C54H73N13O10/c1-3-4-20-40(61-32(2)68)48(72)65-43(29-46(69)70)51(75)66-44-27-34-17-8-9-18-35(34)31-67(53(44)77)45(26-33-15-6-5-7-16-33)52(76)63-41(23-14-25-59-54(57)58)49(73)64-42(28-36-30-60-38-21-11-10-19-37(36)38)50(74)62-39(47(56)71)22-12-13-24-55/h5-11,15-19,21,30,39-45,60H,3-4,12-14,20,22-29,31,55H2,1-2H3,(H2,56,71)(H,61,68)(H,62,74)(H,63,76)(H,64,73)(H,65,72)(H,66,75)(H,69,70)(H4,57,58,59)/t39-,40+,41-,42-,43-,44?,45-/m0/s1 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC4R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50205743
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-2-b...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.75,4.4,(-1.38,-16.95,;.11,-16.56,;.51,-15.07,;1.99,-14.67,;2.4,-13.19,;1.31,-12.1,;3.88,-12.79,;4.97,-13.88,;4.28,-11.3,;5.77,-10.91,;5.37,-12.39,;6.66,-13.23,;6.73,-14.77,;7.85,-12.27,;7.32,-10.83,;8.13,-9.59,;9.69,-9.6,;10.5,-8.27,;12.04,-8.31,;12.83,-6.94,;12.07,-5.59,;12.85,-4.26,;10.53,-5.57,;11.29,-4.23,;12.37,-3.14,;13.9,-3.37,;14.6,-1.99,;13.51,-.91,;13.58,.63,;12.29,1.47,;10.91,.76,;10.84,-.77,;12.13,-1.6,;9.79,-4.3,;8.24,-4.29,;7.47,-5.62,;7.48,-2.95,;8.25,-1.62,;7.48,-.29,;8.25,1.04,;7.48,2.38,;8.25,3.71,;7.49,5.04,;9.8,3.7,;5.94,-2.95,;5.14,-4.28,;5.89,-5.62,;3.6,-4.27,;2.85,-2.92,;1.31,-2.9,;.57,-1.55,;-.97,-1.53,;-1.75,-2.86,;-1,-4.2,;.54,-4.22,;2.65,-5.45,;1.12,-5.17,;-.05,-6.17,;-1.42,-5.47,;-2.73,-6.31,;-2.65,-7.86,;-1.27,-8.56,;.02,-7.72,;1.27,-8.64,;2.76,-8.25,;3.52,-9.58,;5,-9.54,;5.75,-8.2,;3.38,-6.82,;5.09,-6.94,;12.79,-9.65,;12,-10.97,;14.32,-9.67,)| Show InChI InChI=1S/C52H69N13O8/c1-2-3-19-36(53)46(68)62-41-28-44(66)57-23-12-11-21-38(45(54)67)60-48(70)40(27-34-29-59-37-20-10-9-18-35(34)37)63-47(69)39(22-13-24-58-52(55)56)61-50(72)43(25-31-14-5-4-6-15-31)65-30-33-17-8-7-16-32(33)26-42(51(65)73)64-49(41)71/h4-10,14-18,20,29,36,38-43,59H,2-3,11-13,19,21-28,30,53H2,1H3,(H2,54,67)(H,57,66)(H,60,70)(H,61,72)(H,62,68)(H,63,69)(H,64,71)(H4,55,56,58)/t36-,38-,39-,40-,41-,42?,43+/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC4R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50205742
((S)-3-((R)-2-acetamidohexanamido)-4-(2-((S)-1-((S)...)Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NC1Cc2ccccc2CN([C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O |wU:4.4,52.53,30.30,wD:41.42,66.69,12.11,(.82,-15.62,;-.68,-15.22,;-1.08,-13.74,;-2.57,-13.35,;-2.98,-11.87,;-4.47,-11.48,;-5.56,-12.59,;-7.07,-12.19,;-5.15,-14.09,;-1.9,-10.77,;-.41,-11.16,;-2.3,-9.29,;-1.22,-8.19,;.27,-8.58,;1.35,-7.49,;2.84,-7.88,;.94,-6,;-1.63,-6.71,;-3.13,-6.4,;-.6,-5.56,;-1.09,-4.1,;-2.83,-3.88,;-3.67,-2.43,;-5.34,-2.71,;-6.42,-1.4,;-5.82,.18,;-4.13,.46,;-3.07,-.85,;-1.47,-.32,;-.07,-1.27,;1.26,-.5,;1.25,1.05,;2.58,1.82,;3.9,1.06,;5.23,1.84,;5.22,3.38,;3.88,4.14,;2.56,3.36,;2.6,-1.26,;2.6,-2.8,;3.92,-.48,;5.27,-1.24,;5.27,-2.78,;6.61,-3.55,;6.61,-5.08,;7.95,-5.84,;7.96,-7.39,;6.63,-8.16,;9.3,-8.15,;6.59,-.47,;6.58,1.07,;7.93,-1.23,;9.25,-.45,;9.25,1.09,;10.57,1.86,;11.92,1.38,;12.92,2.55,;12.12,3.86,;12.57,5.32,;11.52,6.45,;10.02,6.09,;9.57,4.63,;10.62,3.5,;10.59,-1.22,;10.6,-2.75,;11.92,-.44,;13.26,-1.2,;13.27,-2.74,;14.6,-3.5,;14.61,-5.04,;15.95,-5.8,;15.96,-7.34,;14.59,-.42,;15.92,-1.18,;14.58,1.12,;.08,-2.96,;1.52,-3.5,)| Show InChI InChI=1S/C54H73N13O10/c1-3-4-20-40(61-32(2)68)48(72)65-43(29-46(69)70)51(75)66-44-27-34-17-8-9-18-35(34)31-67(53(44)77)45(26-33-15-6-5-7-16-33)52(76)63-41(23-14-25-59-54(57)58)49(73)64-42(28-36-30-60-38-21-11-10-19-37(36)38)50(74)62-39(47(56)71)22-12-13-24-55/h5-11,15-19,21,30,39-45,60H,3-4,12-14,20,22-29,31,55H2,1-2H3,(H2,56,71)(H,61,68)(H,62,74)(H,63,76)(H,64,73)(H,65,72)(H,66,75)(H,69,70)(H4,57,58,59)/t39-,40+,41-,42-,43-,44?,45-/m0/s1 | PDB
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UniProtKB/SwissProt
antibodypedia
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AffyNet
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC1R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50205742
((S)-3-((R)-2-acetamidohexanamido)-4-(2-((S)-1-((S)...)Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NC1Cc2ccccc2CN([C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O |wU:4.4,52.53,30.30,wD:41.42,66.69,12.11,(.82,-15.62,;-.68,-15.22,;-1.08,-13.74,;-2.57,-13.35,;-2.98,-11.87,;-4.47,-11.48,;-5.56,-12.59,;-7.07,-12.19,;-5.15,-14.09,;-1.9,-10.77,;-.41,-11.16,;-2.3,-9.29,;-1.22,-8.19,;.27,-8.58,;1.35,-7.49,;2.84,-7.88,;.94,-6,;-1.63,-6.71,;-3.13,-6.4,;-.6,-5.56,;-1.09,-4.1,;-2.83,-3.88,;-3.67,-2.43,;-5.34,-2.71,;-6.42,-1.4,;-5.82,.18,;-4.13,.46,;-3.07,-.85,;-1.47,-.32,;-.07,-1.27,;1.26,-.5,;1.25,1.05,;2.58,1.82,;3.9,1.06,;5.23,1.84,;5.22,3.38,;3.88,4.14,;2.56,3.36,;2.6,-1.26,;2.6,-2.8,;3.92,-.48,;5.27,-1.24,;5.27,-2.78,;6.61,-3.55,;6.61,-5.08,;7.95,-5.84,;7.96,-7.39,;6.63,-8.16,;9.3,-8.15,;6.59,-.47,;6.58,1.07,;7.93,-1.23,;9.25,-.45,;9.25,1.09,;10.57,1.86,;11.92,1.38,;12.92,2.55,;12.12,3.86,;12.57,5.32,;11.52,6.45,;10.02,6.09,;9.57,4.63,;10.62,3.5,;10.59,-1.22,;10.6,-2.75,;11.92,-.44,;13.26,-1.2,;13.27,-2.74,;14.6,-3.5,;14.61,-5.04,;15.95,-5.8,;15.96,-7.34,;14.59,-.42,;15.92,-1.18,;14.58,1.12,;.08,-2.96,;1.52,-3.5,)| Show InChI InChI=1S/C54H73N13O10/c1-3-4-20-40(61-32(2)68)48(72)65-43(29-46(69)70)51(75)66-44-27-34-17-8-9-18-35(34)31-67(53(44)77)45(26-33-15-6-5-7-16-33)52(76)63-41(23-14-25-59-54(57)58)49(73)64-42(28-36-30-60-38-21-11-10-19-37(36)38)50(74)62-39(47(56)71)22-12-13-24-55/h5-11,15-19,21,30,39-45,60H,3-4,12-14,20,22-29,31,55H2,1-2H3,(H2,56,71)(H,61,68)(H,62,74)(H,63,76)(H,64,73)(H,65,72)(H,66,75)(H,69,70)(H4,57,58,59)/t39-,40+,41-,42-,43-,44?,45-/m0/s1 | PDB
KEGG
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| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Effect on human MC4R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50205742
((S)-3-((R)-2-acetamidohexanamido)-4-(2-((S)-1-((S)...)Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NC1Cc2ccccc2CN([C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O |wU:4.4,52.53,30.30,wD:41.42,66.69,12.11,(.82,-15.62,;-.68,-15.22,;-1.08,-13.74,;-2.57,-13.35,;-2.98,-11.87,;-4.47,-11.48,;-5.56,-12.59,;-7.07,-12.19,;-5.15,-14.09,;-1.9,-10.77,;-.41,-11.16,;-2.3,-9.29,;-1.22,-8.19,;.27,-8.58,;1.35,-7.49,;2.84,-7.88,;.94,-6,;-1.63,-6.71,;-3.13,-6.4,;-.6,-5.56,;-1.09,-4.1,;-2.83,-3.88,;-3.67,-2.43,;-5.34,-2.71,;-6.42,-1.4,;-5.82,.18,;-4.13,.46,;-3.07,-.85,;-1.47,-.32,;-.07,-1.27,;1.26,-.5,;1.25,1.05,;2.58,1.82,;3.9,1.06,;5.23,1.84,;5.22,3.38,;3.88,4.14,;2.56,3.36,;2.6,-1.26,;2.6,-2.8,;3.92,-.48,;5.27,-1.24,;5.27,-2.78,;6.61,-3.55,;6.61,-5.08,;7.95,-5.84,;7.96,-7.39,;6.63,-8.16,;9.3,-8.15,;6.59,-.47,;6.58,1.07,;7.93,-1.23,;9.25,-.45,;9.25,1.09,;10.57,1.86,;11.92,1.38,;12.92,2.55,;12.12,3.86,;12.57,5.32,;11.52,6.45,;10.02,6.09,;9.57,4.63,;10.62,3.5,;10.59,-1.22,;10.6,-2.75,;11.92,-.44,;13.26,-1.2,;13.27,-2.74,;14.6,-3.5,;14.61,-5.04,;15.95,-5.8,;15.96,-7.34,;14.59,-.42,;15.92,-1.18,;14.58,1.12,;.08,-2.96,;1.52,-3.5,)| Show InChI InChI=1S/C54H73N13O10/c1-3-4-20-40(61-32(2)68)48(72)65-43(29-46(69)70)51(75)66-44-27-34-17-8-9-18-35(34)31-67(53(44)77)45(26-33-15-6-5-7-16-33)52(76)63-41(23-14-25-59-54(57)58)49(73)64-42(28-36-30-60-38-21-11-10-19-37(36)38)50(74)62-39(47(56)71)22-12-13-24-55/h5-11,15-19,21,30,39-45,60H,3-4,12-14,20,22-29,31,55H2,1-2H3,(H2,56,71)(H,61,68)(H,62,74)(H,63,76)(H,64,73)(H,65,72)(H,66,75)(H,69,70)(H4,57,58,59)/t39-,40+,41-,42-,43-,44?,45-/m0/s1 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Effect on human MC3R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50205742
((S)-3-((R)-2-acetamidohexanamido)-4-(2-((S)-1-((S)...)Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NC1Cc2ccccc2CN([C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O |wU:4.4,52.53,30.30,wD:41.42,66.69,12.11,(.82,-15.62,;-.68,-15.22,;-1.08,-13.74,;-2.57,-13.35,;-2.98,-11.87,;-4.47,-11.48,;-5.56,-12.59,;-7.07,-12.19,;-5.15,-14.09,;-1.9,-10.77,;-.41,-11.16,;-2.3,-9.29,;-1.22,-8.19,;.27,-8.58,;1.35,-7.49,;2.84,-7.88,;.94,-6,;-1.63,-6.71,;-3.13,-6.4,;-.6,-5.56,;-1.09,-4.1,;-2.83,-3.88,;-3.67,-2.43,;-5.34,-2.71,;-6.42,-1.4,;-5.82,.18,;-4.13,.46,;-3.07,-.85,;-1.47,-.32,;-.07,-1.27,;1.26,-.5,;1.25,1.05,;2.58,1.82,;3.9,1.06,;5.23,1.84,;5.22,3.38,;3.88,4.14,;2.56,3.36,;2.6,-1.26,;2.6,-2.8,;3.92,-.48,;5.27,-1.24,;5.27,-2.78,;6.61,-3.55,;6.61,-5.08,;7.95,-5.84,;7.96,-7.39,;6.63,-8.16,;9.3,-8.15,;6.59,-.47,;6.58,1.07,;7.93,-1.23,;9.25,-.45,;9.25,1.09,;10.57,1.86,;11.92,1.38,;12.92,2.55,;12.12,3.86,;12.57,5.32,;11.52,6.45,;10.02,6.09,;9.57,4.63,;10.62,3.5,;10.59,-1.22,;10.6,-2.75,;11.92,-.44,;13.26,-1.2,;13.27,-2.74,;14.6,-3.5,;14.61,-5.04,;15.95,-5.8,;15.96,-7.34,;14.59,-.42,;15.92,-1.18,;14.58,1.12,;.08,-2.96,;1.52,-3.5,)| Show InChI InChI=1S/C54H73N13O10/c1-3-4-20-40(61-32(2)68)48(72)65-43(29-46(69)70)51(75)66-44-27-34-17-8-9-18-35(34)31-67(53(44)77)45(26-33-15-6-5-7-16-33)52(76)63-41(23-14-25-59-54(57)58)49(73)64-42(28-36-30-60-38-21-11-10-19-37(36)38)50(74)62-39(47(56)71)22-12-13-24-55/h5-11,15-19,21,30,39-45,60H,3-4,12-14,20,22-29,31,55H2,1-2H3,(H2,56,71)(H,61,68)(H,62,74)(H,63,76)(H,64,73)(H,65,72)(H,66,75)(H,69,70)(H4,57,58,59)/t39-,40+,41-,42-,43-,44?,45-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Effect on human MC5R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50205744
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.80,4.4,(-4.16,-15.01,;-2.68,-14.61,;-2.28,-13.13,;-.79,-12.73,;-.39,-11.24,;-1.48,-10.15,;1.1,-10.85,;2.19,-11.94,;1.5,-9.36,;2.99,-8.96,;2.59,-10.45,;3.88,-11.29,;3.95,-12.82,;5.07,-10.33,;4.53,-8.89,;5.34,-7.65,;6.91,-7.66,;7.71,-6.32,;9.25,-6.36,;10.05,-5,;9.29,-3.64,;10.06,-2.32,;7.74,-3.63,;8.5,-2.29,;9.59,-1.19,;11.12,-1.42,;11.81,-.04,;10.72,1.04,;10.79,2.57,;9.5,3.41,;8.13,2.7,;8.06,1.17,;9.35,.34,;7,-2.36,;5.46,-2.34,;4.69,-3.67,;4.69,-1,;5.47,.32,;4.7,1.66,;5.47,2.99,;4.7,4.32,;5.47,5.65,;4.7,6.99,;7.01,5.65,;3.15,-1.01,;2.36,-2.34,;3.11,-3.67,;.82,-2.32,;.07,-.98,;-1.47,-.96,;-2.24,-2.27,;-3.78,-2.26,;-4.54,-.91,;-6.07,-.9,;-6.83,.43,;-6.05,1.77,;-4.51,1.76,;-3.75,.42,;-2.21,.39,;-.14,-3.51,;-1.66,-3.22,;-2.83,-4.23,;-4.2,-3.53,;-5.51,-4.36,;-5.43,-5.91,;-4.06,-6.61,;-2.76,-5.78,;-1.51,-6.7,;-.02,-6.3,;.73,-7.64,;2.21,-7.6,;2.96,-6.26,;.59,-4.88,;2.3,-5,;10,-7.7,;9.21,-9.02,;11.54,-7.73,)| Show InChI InChI=1S/C56H71N13O8/c1-2-3-18-40(57)50(72)66-45-30-48(70)61-24-11-10-20-42(49(58)71)64-52(74)44(29-38-31-63-41-19-9-8-17-39(38)41)67-51(73)43(21-12-25-62-56(59)60)65-54(76)47(27-33-22-23-34-13-4-5-14-35(34)26-33)69-32-37-16-7-6-15-36(37)28-46(55(69)77)68-53(45)75/h4-9,13-17,19,22-23,26,31,40,42-47,63H,2-3,10-12,18,20-21,24-25,27-30,32,57H2,1H3,(H2,58,71)(H,61,70)(H,64,74)(H,65,76)(H,66,72)(H,67,73)(H,68,75)(H4,59,60,62)/t40-,42-,43-,44-,45-,46?,47+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Effect on human MC4R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50205745
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:36.38,9.8,62.66,wD:47.49,22.22,18.77,4.4,(-.77,-36.46,;.71,-36.07,;1.11,-34.58,;2.6,-34.18,;3,-32.7,;1.91,-31.61,;4.49,-32.3,;5.58,-33.39,;4.89,-30.81,;6.38,-30.41,;5.98,-31.9,;7.27,-32.74,;7.34,-34.28,;8.46,-31.78,;7.92,-30.34,;8.73,-29.1,;10.3,-29.11,;11.1,-27.78,;12.65,-27.81,;13.44,-26.45,;12.68,-25.09,;13.46,-23.77,;11.14,-25.08,;11.89,-23.74,;12.98,-22.65,;14.51,-22.87,;15.21,-21.49,;14.11,-20.41,;14.19,-18.88,;12.9,-18.04,;11.52,-18.75,;11.45,-20.28,;12.74,-21.11,;10.39,-23.81,;8.85,-23.8,;8.08,-25.12,;8.09,-22.46,;8.86,-21.13,;8.09,-19.79,;8.86,-18.46,;8.09,-17.13,;8.86,-15.8,;8.09,-14.46,;10.41,-15.8,;6.54,-22.46,;5.75,-23.79,;6.5,-25.12,;4.21,-23.77,;3.46,-22.43,;1.92,-22.41,;1.15,-23.73,;-.39,-23.71,;-1.15,-22.36,;-2.67,-22.35,;-3.43,-21.03,;-2.66,-19.7,;-1.12,-19.71,;-.37,-21.04,;1.18,-21.06,;3.25,-24.96,;3.99,-26.33,;5.7,-26.45,;3.37,-27.76,;1.83,-27.84,;.73,-28.93,;.96,-30.46,;-.42,-31.16,;-1.51,-30.06,;-.8,-28.68,;4.12,-29.09,;5.6,-29.05,;6.36,-27.71,;13.4,-29.16,;12.61,-30.47,;14.93,-29.18,)| Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Effect on human MC1R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50205742
((S)-3-((R)-2-acetamidohexanamido)-4-(2-((S)-1-((S)...)Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NC1Cc2ccccc2CN([C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O |wU:4.4,52.53,30.30,wD:41.42,66.69,12.11,(.82,-15.62,;-.68,-15.22,;-1.08,-13.74,;-2.57,-13.35,;-2.98,-11.87,;-4.47,-11.48,;-5.56,-12.59,;-7.07,-12.19,;-5.15,-14.09,;-1.9,-10.77,;-.41,-11.16,;-2.3,-9.29,;-1.22,-8.19,;.27,-8.58,;1.35,-7.49,;2.84,-7.88,;.94,-6,;-1.63,-6.71,;-3.13,-6.4,;-.6,-5.56,;-1.09,-4.1,;-2.83,-3.88,;-3.67,-2.43,;-5.34,-2.71,;-6.42,-1.4,;-5.82,.18,;-4.13,.46,;-3.07,-.85,;-1.47,-.32,;-.07,-1.27,;1.26,-.5,;1.25,1.05,;2.58,1.82,;3.9,1.06,;5.23,1.84,;5.22,3.38,;3.88,4.14,;2.56,3.36,;2.6,-1.26,;2.6,-2.8,;3.92,-.48,;5.27,-1.24,;5.27,-2.78,;6.61,-3.55,;6.61,-5.08,;7.95,-5.84,;7.96,-7.39,;6.63,-8.16,;9.3,-8.15,;6.59,-.47,;6.58,1.07,;7.93,-1.23,;9.25,-.45,;9.25,1.09,;10.57,1.86,;11.92,1.38,;12.92,2.55,;12.12,3.86,;12.57,5.32,;11.52,6.45,;10.02,6.09,;9.57,4.63,;10.62,3.5,;10.59,-1.22,;10.6,-2.75,;11.92,-.44,;13.26,-1.2,;13.27,-2.74,;14.6,-3.5,;14.61,-5.04,;15.95,-5.8,;15.96,-7.34,;14.59,-.42,;15.92,-1.18,;14.58,1.12,;.08,-2.96,;1.52,-3.5,)| Show InChI InChI=1S/C54H73N13O10/c1-3-4-20-40(61-32(2)68)48(72)65-43(29-46(69)70)51(75)66-44-27-34-17-8-9-18-35(34)31-67(53(44)77)45(26-33-15-6-5-7-16-33)52(76)63-41(23-14-25-59-54(57)58)49(73)64-42(28-36-30-60-38-21-11-10-19-37(36)38)50(74)62-39(47(56)71)22-12-13-24-55/h5-11,15-19,21,30,39-45,60H,3-4,12-14,20,22-29,31,55H2,1-2H3,(H2,56,71)(H,61,68)(H,62,74)(H,63,76)(H,64,73)(H,65,72)(H,66,75)(H,69,70)(H4,57,58,59)/t39-,40+,41-,42-,43-,44?,45-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC1R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50205743
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-2-b...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.75,4.4,(-1.38,-16.95,;.11,-16.56,;.51,-15.07,;1.99,-14.67,;2.4,-13.19,;1.31,-12.1,;3.88,-12.79,;4.97,-13.88,;4.28,-11.3,;5.77,-10.91,;5.37,-12.39,;6.66,-13.23,;6.73,-14.77,;7.85,-12.27,;7.32,-10.83,;8.13,-9.59,;9.69,-9.6,;10.5,-8.27,;12.04,-8.31,;12.83,-6.94,;12.07,-5.59,;12.85,-4.26,;10.53,-5.57,;11.29,-4.23,;12.37,-3.14,;13.9,-3.37,;14.6,-1.99,;13.51,-.91,;13.58,.63,;12.29,1.47,;10.91,.76,;10.84,-.77,;12.13,-1.6,;9.79,-4.3,;8.24,-4.29,;7.47,-5.62,;7.48,-2.95,;8.25,-1.62,;7.48,-.29,;8.25,1.04,;7.48,2.38,;8.25,3.71,;7.49,5.04,;9.8,3.7,;5.94,-2.95,;5.14,-4.28,;5.89,-5.62,;3.6,-4.27,;2.85,-2.92,;1.31,-2.9,;.57,-1.55,;-.97,-1.53,;-1.75,-2.86,;-1,-4.2,;.54,-4.22,;2.65,-5.45,;1.12,-5.17,;-.05,-6.17,;-1.42,-5.47,;-2.73,-6.31,;-2.65,-7.86,;-1.27,-8.56,;.02,-7.72,;1.27,-8.64,;2.76,-8.25,;3.52,-9.58,;5,-9.54,;5.75,-8.2,;3.38,-6.82,;5.09,-6.94,;12.79,-9.65,;12,-10.97,;14.32,-9.67,)| Show InChI InChI=1S/C52H69N13O8/c1-2-3-19-36(53)46(68)62-41-28-44(66)57-23-12-11-21-38(45(54)67)60-48(70)40(27-34-29-59-37-20-10-9-18-35(34)37)63-47(69)39(22-13-24-58-52(55)56)61-50(72)43(25-31-14-5-4-6-15-31)65-30-33-17-8-7-16-32(33)26-42(51(65)73)64-49(41)71/h4-10,14-18,20,29,36,38-43,59H,2-3,11-13,19,21-28,30,53H2,1H3,(H2,54,67)(H,57,66)(H,60,70)(H,61,72)(H,62,68)(H,63,69)(H,64,71)(H4,55,56,58)/t36-,38-,39-,40-,41-,42?,43+/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC1R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50205746
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.76,4.4,(-2.07,-39.49,;-.59,-39.09,;-.18,-37.61,;1.3,-37.21,;1.7,-35.72,;.62,-34.63,;3.19,-35.33,;4.28,-36.42,;3.59,-33.84,;5.08,-33.44,;4.68,-34.93,;5.97,-35.77,;6.04,-37.3,;7.16,-34.81,;6.62,-33.37,;7.43,-32.13,;9,-32.14,;9.8,-30.8,;11.35,-30.84,;12.14,-29.47,;11.38,-28.12,;12.16,-26.8,;9.84,-28.11,;10.59,-26.77,;11.68,-25.67,;13.21,-25.9,;13.91,-24.52,;12.81,-23.44,;12.89,-21.91,;11.6,-21.07,;10.22,-21.78,;10.15,-23.31,;11.44,-24.14,;9.09,-26.84,;7.55,-26.82,;6.78,-28.15,;6.79,-25.48,;7.56,-24.16,;6.79,-22.82,;7.56,-21.49,;6.79,-20.16,;7.56,-18.83,;6.79,-17.49,;9.11,-18.83,;5.24,-25.49,;4.45,-26.82,;5.2,-28.15,;2.91,-26.8,;2.16,-25.46,;.62,-25.44,;-.12,-24.09,;-1.66,-24.06,;-2.44,-25.39,;-3.98,-25.37,;-1.69,-26.74,;-.15,-26.75,;1.96,-27.99,;.43,-27.7,;-.74,-28.71,;-2.11,-28.01,;-3.42,-28.84,;-3.34,-30.39,;-1.96,-31.09,;-.67,-30.26,;.58,-31.18,;2.07,-30.78,;2.82,-32.12,;4.3,-32.08,;5.06,-30.74,;2.69,-29.36,;4.4,-29.48,;12.09,-32.18,;11.31,-33.5,;13.63,-32.21,)| Show InChI InChI=1S/C52H68ClN13O8/c1-2-3-14-36(54)46(69)63-41-27-44(67)58-22-9-8-16-38(45(55)68)61-48(71)40(26-33-28-60-37-15-7-6-13-35(33)37)64-47(70)39(17-10-23-59-52(56)57)62-50(73)43(24-30-18-20-34(53)21-19-30)66-29-32-12-5-4-11-31(32)25-42(51(66)74)65-49(41)72/h4-7,11-13,15,18-21,28,36,38-43,60H,2-3,8-10,14,16-17,22-27,29,54H2,1H3,(H2,55,68)(H,58,67)(H,61,71)(H,62,73)(H,63,69)(H,64,70)(H,65,72)(H4,56,57,59)/t36-,38-,39-,40-,41-,42?,43+/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Effect on human MC4R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50205746
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.76,4.4,(-2.07,-39.49,;-.59,-39.09,;-.18,-37.61,;1.3,-37.21,;1.7,-35.72,;.62,-34.63,;3.19,-35.33,;4.28,-36.42,;3.59,-33.84,;5.08,-33.44,;4.68,-34.93,;5.97,-35.77,;6.04,-37.3,;7.16,-34.81,;6.62,-33.37,;7.43,-32.13,;9,-32.14,;9.8,-30.8,;11.35,-30.84,;12.14,-29.47,;11.38,-28.12,;12.16,-26.8,;9.84,-28.11,;10.59,-26.77,;11.68,-25.67,;13.21,-25.9,;13.91,-24.52,;12.81,-23.44,;12.89,-21.91,;11.6,-21.07,;10.22,-21.78,;10.15,-23.31,;11.44,-24.14,;9.09,-26.84,;7.55,-26.82,;6.78,-28.15,;6.79,-25.48,;7.56,-24.16,;6.79,-22.82,;7.56,-21.49,;6.79,-20.16,;7.56,-18.83,;6.79,-17.49,;9.11,-18.83,;5.24,-25.49,;4.45,-26.82,;5.2,-28.15,;2.91,-26.8,;2.16,-25.46,;.62,-25.44,;-.12,-24.09,;-1.66,-24.06,;-2.44,-25.39,;-3.98,-25.37,;-1.69,-26.74,;-.15,-26.75,;1.96,-27.99,;.43,-27.7,;-.74,-28.71,;-2.11,-28.01,;-3.42,-28.84,;-3.34,-30.39,;-1.96,-31.09,;-.67,-30.26,;.58,-31.18,;2.07,-30.78,;2.82,-32.12,;4.3,-32.08,;5.06,-30.74,;2.69,-29.36,;4.4,-29.48,;12.09,-32.18,;11.31,-33.5,;13.63,-32.21,)| Show InChI InChI=1S/C52H68ClN13O8/c1-2-3-14-36(54)46(69)63-41-27-44(67)58-22-9-8-16-38(45(55)68)61-48(71)40(26-33-28-60-37-15-7-6-13-35(33)37)64-47(70)39(17-10-23-59-52(56)57)62-50(73)43(24-30-18-20-34(53)21-19-30)66-29-32-12-5-4-11-31(32)25-42(51(66)74)65-49(41)72/h4-7,11-13,15,18-21,28,36,38-43,60H,2-3,8-10,14,16-17,22-27,29,54H2,1H3,(H2,55,68)(H,58,67)(H,61,71)(H,62,73)(H,63,69)(H,64,70)(H,65,72)(H4,56,57,59)/t36-,38-,39-,40-,41-,42?,43+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Effect on human MC5R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50205743
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-2-b...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.75,4.4,(-1.38,-16.95,;.11,-16.56,;.51,-15.07,;1.99,-14.67,;2.4,-13.19,;1.31,-12.1,;3.88,-12.79,;4.97,-13.88,;4.28,-11.3,;5.77,-10.91,;5.37,-12.39,;6.66,-13.23,;6.73,-14.77,;7.85,-12.27,;7.32,-10.83,;8.13,-9.59,;9.69,-9.6,;10.5,-8.27,;12.04,-8.31,;12.83,-6.94,;12.07,-5.59,;12.85,-4.26,;10.53,-5.57,;11.29,-4.23,;12.37,-3.14,;13.9,-3.37,;14.6,-1.99,;13.51,-.91,;13.58,.63,;12.29,1.47,;10.91,.76,;10.84,-.77,;12.13,-1.6,;9.79,-4.3,;8.24,-4.29,;7.47,-5.62,;7.48,-2.95,;8.25,-1.62,;7.48,-.29,;8.25,1.04,;7.48,2.38,;8.25,3.71,;7.49,5.04,;9.8,3.7,;5.94,-2.95,;5.14,-4.28,;5.89,-5.62,;3.6,-4.27,;2.85,-2.92,;1.31,-2.9,;.57,-1.55,;-.97,-1.53,;-1.75,-2.86,;-1,-4.2,;.54,-4.22,;2.65,-5.45,;1.12,-5.17,;-.05,-6.17,;-1.42,-5.47,;-2.73,-6.31,;-2.65,-7.86,;-1.27,-8.56,;.02,-7.72,;1.27,-8.64,;2.76,-8.25,;3.52,-9.58,;5,-9.54,;5.75,-8.2,;3.38,-6.82,;5.09,-6.94,;12.79,-9.65,;12,-10.97,;14.32,-9.67,)| Show InChI InChI=1S/C52H69N13O8/c1-2-3-19-36(53)46(68)62-41-28-44(66)57-23-12-11-21-38(45(54)67)60-48(70)40(27-34-29-59-37-20-10-9-18-35(34)37)63-47(69)39(22-13-24-58-52(55)56)61-50(72)43(25-31-14-5-4-6-15-31)65-30-33-17-8-7-16-32(33)26-42(51(65)73)64-49(41)71/h4-10,14-18,20,29,36,38-43,59H,2-3,11-13,19,21-28,30,53H2,1H3,(H2,54,67)(H,57,66)(H,60,70)(H,61,72)(H,62,68)(H,63,69)(H,64,71)(H4,55,56,58)/t36-,38-,39-,40-,41-,42?,43+/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Effect on human MC5R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50205745
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:36.38,9.8,62.66,wD:47.49,22.22,18.77,4.4,(-.77,-36.46,;.71,-36.07,;1.11,-34.58,;2.6,-34.18,;3,-32.7,;1.91,-31.61,;4.49,-32.3,;5.58,-33.39,;4.89,-30.81,;6.38,-30.41,;5.98,-31.9,;7.27,-32.74,;7.34,-34.28,;8.46,-31.78,;7.92,-30.34,;8.73,-29.1,;10.3,-29.11,;11.1,-27.78,;12.65,-27.81,;13.44,-26.45,;12.68,-25.09,;13.46,-23.77,;11.14,-25.08,;11.89,-23.74,;12.98,-22.65,;14.51,-22.87,;15.21,-21.49,;14.11,-20.41,;14.19,-18.88,;12.9,-18.04,;11.52,-18.75,;11.45,-20.28,;12.74,-21.11,;10.39,-23.81,;8.85,-23.8,;8.08,-25.12,;8.09,-22.46,;8.86,-21.13,;8.09,-19.79,;8.86,-18.46,;8.09,-17.13,;8.86,-15.8,;8.09,-14.46,;10.41,-15.8,;6.54,-22.46,;5.75,-23.79,;6.5,-25.12,;4.21,-23.77,;3.46,-22.43,;1.92,-22.41,;1.15,-23.73,;-.39,-23.71,;-1.15,-22.36,;-2.67,-22.35,;-3.43,-21.03,;-2.66,-19.7,;-1.12,-19.71,;-.37,-21.04,;1.18,-21.06,;3.25,-24.96,;3.99,-26.33,;5.7,-26.45,;3.37,-27.76,;1.83,-27.84,;.73,-28.93,;.96,-30.46,;-.42,-31.16,;-1.51,-30.06,;-.8,-28.68,;4.12,-29.09,;5.6,-29.05,;6.36,-27.71,;13.4,-29.16,;12.61,-30.47,;14.93,-29.18,)| Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Effect on human MC3R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50205744
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.80,4.4,(-4.16,-15.01,;-2.68,-14.61,;-2.28,-13.13,;-.79,-12.73,;-.39,-11.24,;-1.48,-10.15,;1.1,-10.85,;2.19,-11.94,;1.5,-9.36,;2.99,-8.96,;2.59,-10.45,;3.88,-11.29,;3.95,-12.82,;5.07,-10.33,;4.53,-8.89,;5.34,-7.65,;6.91,-7.66,;7.71,-6.32,;9.25,-6.36,;10.05,-5,;9.29,-3.64,;10.06,-2.32,;7.74,-3.63,;8.5,-2.29,;9.59,-1.19,;11.12,-1.42,;11.81,-.04,;10.72,1.04,;10.79,2.57,;9.5,3.41,;8.13,2.7,;8.06,1.17,;9.35,.34,;7,-2.36,;5.46,-2.34,;4.69,-3.67,;4.69,-1,;5.47,.32,;4.7,1.66,;5.47,2.99,;4.7,4.32,;5.47,5.65,;4.7,6.99,;7.01,5.65,;3.15,-1.01,;2.36,-2.34,;3.11,-3.67,;.82,-2.32,;.07,-.98,;-1.47,-.96,;-2.24,-2.27,;-3.78,-2.26,;-4.54,-.91,;-6.07,-.9,;-6.83,.43,;-6.05,1.77,;-4.51,1.76,;-3.75,.42,;-2.21,.39,;-.14,-3.51,;-1.66,-3.22,;-2.83,-4.23,;-4.2,-3.53,;-5.51,-4.36,;-5.43,-5.91,;-4.06,-6.61,;-2.76,-5.78,;-1.51,-6.7,;-.02,-6.3,;.73,-7.64,;2.21,-7.6,;2.96,-6.26,;.59,-4.88,;2.3,-5,;10,-7.7,;9.21,-9.02,;11.54,-7.73,)| Show InChI InChI=1S/C56H71N13O8/c1-2-3-18-40(57)50(72)66-45-30-48(70)61-24-11-10-20-42(49(58)71)64-52(74)44(29-38-31-63-41-19-9-8-17-39(38)41)67-51(73)43(21-12-25-62-56(59)60)65-54(76)47(27-33-22-23-34-13-4-5-14-35(34)26-33)69-32-37-16-7-6-15-36(37)28-46(55(69)77)68-53(45)75/h4-9,13-17,19,22-23,26,31,40,42-47,63H,2-3,10-12,18,20-21,24-25,27-30,32,57H2,1H3,(H2,58,71)(H,61,70)(H,64,74)(H,65,76)(H,66,72)(H,67,73)(H,68,75)(H4,59,60,62)/t40-,42-,43-,44-,45-,46?,47+/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Effect on human MC3R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50205745
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:36.38,9.8,62.66,wD:47.49,22.22,18.77,4.4,(-.77,-36.46,;.71,-36.07,;1.11,-34.58,;2.6,-34.18,;3,-32.7,;1.91,-31.61,;4.49,-32.3,;5.58,-33.39,;4.89,-30.81,;6.38,-30.41,;5.98,-31.9,;7.27,-32.74,;7.34,-34.28,;8.46,-31.78,;7.92,-30.34,;8.73,-29.1,;10.3,-29.11,;11.1,-27.78,;12.65,-27.81,;13.44,-26.45,;12.68,-25.09,;13.46,-23.77,;11.14,-25.08,;11.89,-23.74,;12.98,-22.65,;14.51,-22.87,;15.21,-21.49,;14.11,-20.41,;14.19,-18.88,;12.9,-18.04,;11.52,-18.75,;11.45,-20.28,;12.74,-21.11,;10.39,-23.81,;8.85,-23.8,;8.08,-25.12,;8.09,-22.46,;8.86,-21.13,;8.09,-19.79,;8.86,-18.46,;8.09,-17.13,;8.86,-15.8,;8.09,-14.46,;10.41,-15.8,;6.54,-22.46,;5.75,-23.79,;6.5,-25.12,;4.21,-23.77,;3.46,-22.43,;1.92,-22.41,;1.15,-23.73,;-.39,-23.71,;-1.15,-22.36,;-2.67,-22.35,;-3.43,-21.03,;-2.66,-19.7,;-1.12,-19.71,;-.37,-21.04,;1.18,-21.06,;3.25,-24.96,;3.99,-26.33,;5.7,-26.45,;3.37,-27.76,;1.83,-27.84,;.73,-28.93,;.96,-30.46,;-.42,-31.16,;-1.51,-30.06,;-.8,-28.68,;4.12,-29.09,;5.6,-29.05,;6.36,-27.71,;13.4,-29.16,;12.61,-30.47,;14.93,-29.18,)| Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Effect on human MC4R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50205746
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.76,4.4,(-2.07,-39.49,;-.59,-39.09,;-.18,-37.61,;1.3,-37.21,;1.7,-35.72,;.62,-34.63,;3.19,-35.33,;4.28,-36.42,;3.59,-33.84,;5.08,-33.44,;4.68,-34.93,;5.97,-35.77,;6.04,-37.3,;7.16,-34.81,;6.62,-33.37,;7.43,-32.13,;9,-32.14,;9.8,-30.8,;11.35,-30.84,;12.14,-29.47,;11.38,-28.12,;12.16,-26.8,;9.84,-28.11,;10.59,-26.77,;11.68,-25.67,;13.21,-25.9,;13.91,-24.52,;12.81,-23.44,;12.89,-21.91,;11.6,-21.07,;10.22,-21.78,;10.15,-23.31,;11.44,-24.14,;9.09,-26.84,;7.55,-26.82,;6.78,-28.15,;6.79,-25.48,;7.56,-24.16,;6.79,-22.82,;7.56,-21.49,;6.79,-20.16,;7.56,-18.83,;6.79,-17.49,;9.11,-18.83,;5.24,-25.49,;4.45,-26.82,;5.2,-28.15,;2.91,-26.8,;2.16,-25.46,;.62,-25.44,;-.12,-24.09,;-1.66,-24.06,;-2.44,-25.39,;-3.98,-25.37,;-1.69,-26.74,;-.15,-26.75,;1.96,-27.99,;.43,-27.7,;-.74,-28.71,;-2.11,-28.01,;-3.42,-28.84,;-3.34,-30.39,;-1.96,-31.09,;-.67,-30.26,;.58,-31.18,;2.07,-30.78,;2.82,-32.12,;4.3,-32.08,;5.06,-30.74,;2.69,-29.36,;4.4,-29.48,;12.09,-32.18,;11.31,-33.5,;13.63,-32.21,)| Show InChI InChI=1S/C52H68ClN13O8/c1-2-3-14-36(54)46(69)63-41-27-44(67)58-22-9-8-16-38(45(55)68)61-48(71)40(26-33-28-60-37-15-7-6-13-35(33)37)64-47(70)39(17-10-23-59-52(56)57)62-50(73)43(24-30-18-20-34(53)21-19-30)66-29-32-12-5-4-11-31(32)25-42(51(66)74)65-49(41)72/h4-7,11-13,15,18-21,28,36,38-43,60H,2-3,8-10,14,16-17,22-27,29,54H2,1H3,(H2,55,68)(H,58,67)(H,61,71)(H,62,73)(H,63,69)(H,64,70)(H,65,72)(H4,56,57,59)/t36-,38-,39-,40-,41-,42?,43+/m0/s1 | PDB
KEGG
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | n/a | n/a | 900 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC1R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50205744
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.80,4.4,(-4.16,-15.01,;-2.68,-14.61,;-2.28,-13.13,;-.79,-12.73,;-.39,-11.24,;-1.48,-10.15,;1.1,-10.85,;2.19,-11.94,;1.5,-9.36,;2.99,-8.96,;2.59,-10.45,;3.88,-11.29,;3.95,-12.82,;5.07,-10.33,;4.53,-8.89,;5.34,-7.65,;6.91,-7.66,;7.71,-6.32,;9.25,-6.36,;10.05,-5,;9.29,-3.64,;10.06,-2.32,;7.74,-3.63,;8.5,-2.29,;9.59,-1.19,;11.12,-1.42,;11.81,-.04,;10.72,1.04,;10.79,2.57,;9.5,3.41,;8.13,2.7,;8.06,1.17,;9.35,.34,;7,-2.36,;5.46,-2.34,;4.69,-3.67,;4.69,-1,;5.47,.32,;4.7,1.66,;5.47,2.99,;4.7,4.32,;5.47,5.65,;4.7,6.99,;7.01,5.65,;3.15,-1.01,;2.36,-2.34,;3.11,-3.67,;.82,-2.32,;.07,-.98,;-1.47,-.96,;-2.24,-2.27,;-3.78,-2.26,;-4.54,-.91,;-6.07,-.9,;-6.83,.43,;-6.05,1.77,;-4.51,1.76,;-3.75,.42,;-2.21,.39,;-.14,-3.51,;-1.66,-3.22,;-2.83,-4.23,;-4.2,-3.53,;-5.51,-4.36,;-5.43,-5.91,;-4.06,-6.61,;-2.76,-5.78,;-1.51,-6.7,;-.02,-6.3,;.73,-7.64,;2.21,-7.6,;2.96,-6.26,;.59,-4.88,;2.3,-5,;10,-7.7,;9.21,-9.02,;11.54,-7.73,)| Show InChI InChI=1S/C56H71N13O8/c1-2-3-18-40(57)50(72)66-45-30-48(70)61-24-11-10-20-42(49(58)71)64-52(74)44(29-38-31-63-41-19-9-8-17-39(38)41)67-51(73)43(21-12-25-62-56(59)60)65-54(76)47(27-33-22-23-34-13-4-5-14-35(34)26-33)69-32-37-16-7-6-15-36(37)28-46(55(69)77)68-53(45)75/h4-9,13-17,19,22-23,26,31,40,42-47,63H,2-3,10-12,18,20-21,24-25,27-30,32,57H2,1H3,(H2,58,71)(H,61,70)(H,64,74)(H,65,76)(H,66,72)(H,67,73)(H,68,75)(H4,59,60,62)/t40-,42-,43-,44-,45-,46?,47+/m0/s1 | PDB
KEGG
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AffyNet
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC1R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50205744
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.80,4.4,(-4.16,-15.01,;-2.68,-14.61,;-2.28,-13.13,;-.79,-12.73,;-.39,-11.24,;-1.48,-10.15,;1.1,-10.85,;2.19,-11.94,;1.5,-9.36,;2.99,-8.96,;2.59,-10.45,;3.88,-11.29,;3.95,-12.82,;5.07,-10.33,;4.53,-8.89,;5.34,-7.65,;6.91,-7.66,;7.71,-6.32,;9.25,-6.36,;10.05,-5,;9.29,-3.64,;10.06,-2.32,;7.74,-3.63,;8.5,-2.29,;9.59,-1.19,;11.12,-1.42,;11.81,-.04,;10.72,1.04,;10.79,2.57,;9.5,3.41,;8.13,2.7,;8.06,1.17,;9.35,.34,;7,-2.36,;5.46,-2.34,;4.69,-3.67,;4.69,-1,;5.47,.32,;4.7,1.66,;5.47,2.99,;4.7,4.32,;5.47,5.65,;4.7,6.99,;7.01,5.65,;3.15,-1.01,;2.36,-2.34,;3.11,-3.67,;.82,-2.32,;.07,-.98,;-1.47,-.96,;-2.24,-2.27,;-3.78,-2.26,;-4.54,-.91,;-6.07,-.9,;-6.83,.43,;-6.05,1.77,;-4.51,1.76,;-3.75,.42,;-2.21,.39,;-.14,-3.51,;-1.66,-3.22,;-2.83,-4.23,;-4.2,-3.53,;-5.51,-4.36,;-5.43,-5.91,;-4.06,-6.61,;-2.76,-5.78,;-1.51,-6.7,;-.02,-6.3,;.73,-7.64,;2.21,-7.6,;2.96,-6.26,;.59,-4.88,;2.3,-5,;10,-7.7,;9.21,-9.02,;11.54,-7.73,)| Show InChI InChI=1S/C56H71N13O8/c1-2-3-18-40(57)50(72)66-45-30-48(70)61-24-11-10-20-42(49(58)71)64-52(74)44(29-38-31-63-41-19-9-8-17-39(38)41)67-51(73)43(21-12-25-62-56(59)60)65-54(76)47(27-33-22-23-34-13-4-5-14-35(34)26-33)69-32-37-16-7-6-15-36(37)28-46(55(69)77)68-53(45)75/h4-9,13-17,19,22-23,26,31,40,42-47,63H,2-3,10-12,18,20-21,24-25,27-30,32,57H2,1H3,(H2,58,71)(H,61,70)(H,64,74)(H,65,76)(H,66,72)(H,67,73)(H,68,75)(H4,59,60,62)/t40-,42-,43-,44-,45-,46?,47+/m0/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Effect on human MC5R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50205745
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:36.38,9.8,62.66,wD:47.49,22.22,18.77,4.4,(-.77,-36.46,;.71,-36.07,;1.11,-34.58,;2.6,-34.18,;3,-32.7,;1.91,-31.61,;4.49,-32.3,;5.58,-33.39,;4.89,-30.81,;6.38,-30.41,;5.98,-31.9,;7.27,-32.74,;7.34,-34.28,;8.46,-31.78,;7.92,-30.34,;8.73,-29.1,;10.3,-29.11,;11.1,-27.78,;12.65,-27.81,;13.44,-26.45,;12.68,-25.09,;13.46,-23.77,;11.14,-25.08,;11.89,-23.74,;12.98,-22.65,;14.51,-22.87,;15.21,-21.49,;14.11,-20.41,;14.19,-18.88,;12.9,-18.04,;11.52,-18.75,;11.45,-20.28,;12.74,-21.11,;10.39,-23.81,;8.85,-23.8,;8.08,-25.12,;8.09,-22.46,;8.86,-21.13,;8.09,-19.79,;8.86,-18.46,;8.09,-17.13,;8.86,-15.8,;8.09,-14.46,;10.41,-15.8,;6.54,-22.46,;5.75,-23.79,;6.5,-25.12,;4.21,-23.77,;3.46,-22.43,;1.92,-22.41,;1.15,-23.73,;-.39,-23.71,;-1.15,-22.36,;-2.67,-22.35,;-3.43,-21.03,;-2.66,-19.7,;-1.12,-19.71,;-.37,-21.04,;1.18,-21.06,;3.25,-24.96,;3.99,-26.33,;5.7,-26.45,;3.37,-27.76,;1.83,-27.84,;.73,-28.93,;.96,-30.46,;-.42,-31.16,;-1.51,-30.06,;-.8,-28.68,;4.12,-29.09,;5.6,-29.05,;6.36,-27.71,;13.4,-29.16,;12.61,-30.47,;14.93,-29.18,)| Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Effect on human MC5R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50205743
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-2-b...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.75,4.4,(-1.38,-16.95,;.11,-16.56,;.51,-15.07,;1.99,-14.67,;2.4,-13.19,;1.31,-12.1,;3.88,-12.79,;4.97,-13.88,;4.28,-11.3,;5.77,-10.91,;5.37,-12.39,;6.66,-13.23,;6.73,-14.77,;7.85,-12.27,;7.32,-10.83,;8.13,-9.59,;9.69,-9.6,;10.5,-8.27,;12.04,-8.31,;12.83,-6.94,;12.07,-5.59,;12.85,-4.26,;10.53,-5.57,;11.29,-4.23,;12.37,-3.14,;13.9,-3.37,;14.6,-1.99,;13.51,-.91,;13.58,.63,;12.29,1.47,;10.91,.76,;10.84,-.77,;12.13,-1.6,;9.79,-4.3,;8.24,-4.29,;7.47,-5.62,;7.48,-2.95,;8.25,-1.62,;7.48,-.29,;8.25,1.04,;7.48,2.38,;8.25,3.71,;7.49,5.04,;9.8,3.7,;5.94,-2.95,;5.14,-4.28,;5.89,-5.62,;3.6,-4.27,;2.85,-2.92,;1.31,-2.9,;.57,-1.55,;-.97,-1.53,;-1.75,-2.86,;-1,-4.2,;.54,-4.22,;2.65,-5.45,;1.12,-5.17,;-.05,-6.17,;-1.42,-5.47,;-2.73,-6.31,;-2.65,-7.86,;-1.27,-8.56,;.02,-7.72,;1.27,-8.64,;2.76,-8.25,;3.52,-9.58,;5,-9.54,;5.75,-8.2,;3.38,-6.82,;5.09,-6.94,;12.79,-9.65,;12,-10.97,;14.32,-9.67,)| Show InChI InChI=1S/C52H69N13O8/c1-2-3-19-36(53)46(68)62-41-28-44(66)57-23-12-11-21-38(45(54)67)60-48(70)40(27-34-29-59-37-20-10-9-18-35(34)37)63-47(69)39(22-13-24-58-52(55)56)61-50(72)43(25-31-14-5-4-6-15-31)65-30-33-17-8-7-16-32(33)26-42(51(65)73)64-49(41)71/h4-10,14-18,20,29,36,38-43,59H,2-3,11-13,19,21-28,30,53H2,1H3,(H2,54,67)(H,57,66)(H,60,70)(H,61,72)(H,62,68)(H,63,69)(H,64,71)(H4,55,56,58)/t36-,38-,39-,40-,41-,42?,43+/m0/s1 | PDB
KEGG
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Effect on human MC4R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50205743
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-2-b...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.75,4.4,(-1.38,-16.95,;.11,-16.56,;.51,-15.07,;1.99,-14.67,;2.4,-13.19,;1.31,-12.1,;3.88,-12.79,;4.97,-13.88,;4.28,-11.3,;5.77,-10.91,;5.37,-12.39,;6.66,-13.23,;6.73,-14.77,;7.85,-12.27,;7.32,-10.83,;8.13,-9.59,;9.69,-9.6,;10.5,-8.27,;12.04,-8.31,;12.83,-6.94,;12.07,-5.59,;12.85,-4.26,;10.53,-5.57,;11.29,-4.23,;12.37,-3.14,;13.9,-3.37,;14.6,-1.99,;13.51,-.91,;13.58,.63,;12.29,1.47,;10.91,.76,;10.84,-.77,;12.13,-1.6,;9.79,-4.3,;8.24,-4.29,;7.47,-5.62,;7.48,-2.95,;8.25,-1.62,;7.48,-.29,;8.25,1.04,;7.48,2.38,;8.25,3.71,;7.49,5.04,;9.8,3.7,;5.94,-2.95,;5.14,-4.28,;5.89,-5.62,;3.6,-4.27,;2.85,-2.92,;1.31,-2.9,;.57,-1.55,;-.97,-1.53,;-1.75,-2.86,;-1,-4.2,;.54,-4.22,;2.65,-5.45,;1.12,-5.17,;-.05,-6.17,;-1.42,-5.47,;-2.73,-6.31,;-2.65,-7.86,;-1.27,-8.56,;.02,-7.72,;1.27,-8.64,;2.76,-8.25,;3.52,-9.58,;5,-9.54,;5.75,-8.2,;3.38,-6.82,;5.09,-6.94,;12.79,-9.65,;12,-10.97,;14.32,-9.67,)| Show InChI InChI=1S/C52H69N13O8/c1-2-3-19-36(53)46(68)62-41-28-44(66)57-23-12-11-21-38(45(54)67)60-48(70)40(27-34-29-59-37-20-10-9-18-35(34)37)63-47(69)39(22-13-24-58-52(55)56)61-50(72)43(25-31-14-5-4-6-15-31)65-30-33-17-8-7-16-32(33)26-42(51(65)73)64-49(41)71/h4-10,14-18,20,29,36,38-43,59H,2-3,11-13,19,21-28,30,53H2,1H3,(H2,54,67)(H,57,66)(H,60,70)(H,61,72)(H,62,68)(H,63,69)(H,64,71)(H4,55,56,58)/t36-,38-,39-,40-,41-,42?,43+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Effect on human MC3R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50205746
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.76,4.4,(-2.07,-39.49,;-.59,-39.09,;-.18,-37.61,;1.3,-37.21,;1.7,-35.72,;.62,-34.63,;3.19,-35.33,;4.28,-36.42,;3.59,-33.84,;5.08,-33.44,;4.68,-34.93,;5.97,-35.77,;6.04,-37.3,;7.16,-34.81,;6.62,-33.37,;7.43,-32.13,;9,-32.14,;9.8,-30.8,;11.35,-30.84,;12.14,-29.47,;11.38,-28.12,;12.16,-26.8,;9.84,-28.11,;10.59,-26.77,;11.68,-25.67,;13.21,-25.9,;13.91,-24.52,;12.81,-23.44,;12.89,-21.91,;11.6,-21.07,;10.22,-21.78,;10.15,-23.31,;11.44,-24.14,;9.09,-26.84,;7.55,-26.82,;6.78,-28.15,;6.79,-25.48,;7.56,-24.16,;6.79,-22.82,;7.56,-21.49,;6.79,-20.16,;7.56,-18.83,;6.79,-17.49,;9.11,-18.83,;5.24,-25.49,;4.45,-26.82,;5.2,-28.15,;2.91,-26.8,;2.16,-25.46,;.62,-25.44,;-.12,-24.09,;-1.66,-24.06,;-2.44,-25.39,;-3.98,-25.37,;-1.69,-26.74,;-.15,-26.75,;1.96,-27.99,;.43,-27.7,;-.74,-28.71,;-2.11,-28.01,;-3.42,-28.84,;-3.34,-30.39,;-1.96,-31.09,;-.67,-30.26,;.58,-31.18,;2.07,-30.78,;2.82,-32.12,;4.3,-32.08,;5.06,-30.74,;2.69,-29.36,;4.4,-29.48,;12.09,-32.18,;11.31,-33.5,;13.63,-32.21,)| Show InChI InChI=1S/C52H68ClN13O8/c1-2-3-14-36(54)46(69)63-41-27-44(67)58-22-9-8-16-38(45(55)68)61-48(71)40(26-33-28-60-37-15-7-6-13-35(33)37)64-47(70)39(17-10-23-59-52(56)57)62-50(73)43(24-30-18-20-34(53)21-19-30)66-29-32-12-5-4-11-31(32)25-42(51(66)74)65-49(41)72/h4-7,11-13,15,18-21,28,36,38-43,60H,2-3,8-10,14,16-17,22-27,29,54H2,1H3,(H2,55,68)(H,58,67)(H,61,71)(H,62,73)(H,63,69)(H,64,70)(H,65,72)(H4,56,57,59)/t36-,38-,39-,40-,41-,42?,43+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Effect on human MC3R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
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