Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50389771' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50389771
(CHEMBL2070243)Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:28.27,61.61,111.120,100.103,89.92,71.124,22.21,wD:37.36,47.47,53.53,75.76,113.117,(12.35,-13.87,;10.81,-13.85,;10.07,-12.5,;8.53,-12.47,;7.78,-11.13,;6.24,-11.1,;5.45,-12.42,;3.91,-12.39,;3.11,-13.71,;1.58,-13.68,;.83,-12.34,;-.71,-12.31,;-1.46,-10.96,;-3,-10.94,;-3.79,-12.26,;-3.04,-13.6,;-1.5,-13.63,;-3.84,-14.92,;-3.09,-16.27,;-1.55,-16.3,;-.76,-14.97,;-.8,-17.64,;.74,-17.67,;1.53,-16.35,;3.07,-16.37,;1.48,-19.01,;3.03,-19.04,;.69,-20.33,;1.44,-21.68,;2.98,-21.71,;3.78,-20.38,;5.31,-20.41,;6.06,-21.76,;6.11,-19.09,;.65,-23,;-.89,-22.97,;1.4,-24.35,;.61,-25.67,;-.93,-25.64,;-1.72,-26.96,;-1.12,-28.38,;-2.28,-29.39,;-3.6,-28.6,;-3.26,-27.1,;1.36,-27.01,;2.9,-27.04,;.57,-28.33,;1.32,-29.68,;.53,-31,;-1.02,-30.97,;2.86,-29.71,;3.64,-28.38,;3.6,-31.05,;5.14,-31.07,;5.89,-32.42,;5.09,-33.74,;5.84,-35.09,;5.05,-36.41,;5.93,-29.76,;5.18,-28.41,;7.48,-29.78,;8.26,-28.46,;7.69,-27.03,;8.73,-25.41,;8.72,-17.1,;7.63,-16.01,;30.7,-17.04,;30.67,-22.24,;29.33,-22.99,;29.3,-24.53,;27.96,-25.28,;27.94,-26.83,;26.59,-27.57,;25.27,-26.78,;25.29,-25.25,;23.93,-27.54,;23.9,-29.08,;25.22,-29.86,;26.63,-29.26,;27.65,-30.42,;26.86,-31.74,;27.32,-33.21,;26.27,-34.34,;24.77,-34,;24.32,-32.53,;25.36,-31.4,;22.6,-26.75,;21.26,-27.5,;21.23,-29.03,;19.93,-26.71,;19.95,-25.17,;21.3,-24.41,;21.33,-22.88,;22.66,-22.13,;22.69,-20.59,;21.37,-19.8,;24.03,-19.84,;18.59,-27.45,;17.26,-26.67,;17.29,-25.13,;15.92,-27.42,;15.9,-28.96,;17.22,-29.75,;18.57,-29,;19.89,-29.79,;19.86,-31.32,;18.52,-32.08,;17.2,-31.29,;14.6,-26.63,;13.26,-27.38,;13.23,-28.92,;11.94,-26.59,;12.04,-25.04,;10.4,-24.68,;9.72,-23.15,;9.55,-26.13,;10.66,-27.4,;9.79,-28.68,;10.46,-30.06,;29.26,-27.62,;30.6,-26.86,;29.23,-29.15,)| Show InChI InChI=1S/C83H127N21O18/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-33-69(109)92-46-71(111)94-65(48-105)79(119)98-60(34-36-68(84)108)75(115)101-64(42-53-45-88-50-93-53)78(118)103-66(49-106)80(120)97-58(29-6-4-2)73(113)99-61-35-37-70(110)89-38-24-23-31-57(72(85)112)95-77(117)63(41-52-44-91-56-30-22-21-28-55(52)56)100-74(114)59(32-25-39-90-83(86)87)96-76(116)62(40-51-26-18-17-19-27-51)102-81(121)67-43-54(107)47-104(67)82(61)122/h17-19,21-22,26-28,30,44-45,50,54,57-67,91,105-107H,3-16,20,23-25,29,31-43,46-49H2,1-2H3,(H2,84,108)(H2,85,112)(H,88,93)(H,89,110)(H,92,109)(H,94,111)(H,95,117)(H,96,116)(H,97,120)(H,98,119)(H,99,113)(H,100,114)(H,101,115)(H,102,121)(H,103,118)(H4,86,87,90)/t54-,57+,58+,59+,60+,61+,62-,63+,64+,65+,66+,67+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin |
J Med Chem 55: 1969-77 (2012)
Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50389771
(CHEMBL2070243)Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:28.27,61.61,111.120,100.103,89.92,71.124,22.21,wD:37.36,47.47,53.53,75.76,113.117,(12.35,-13.87,;10.81,-13.85,;10.07,-12.5,;8.53,-12.47,;7.78,-11.13,;6.24,-11.1,;5.45,-12.42,;3.91,-12.39,;3.11,-13.71,;1.58,-13.68,;.83,-12.34,;-.71,-12.31,;-1.46,-10.96,;-3,-10.94,;-3.79,-12.26,;-3.04,-13.6,;-1.5,-13.63,;-3.84,-14.92,;-3.09,-16.27,;-1.55,-16.3,;-.76,-14.97,;-.8,-17.64,;.74,-17.67,;1.53,-16.35,;3.07,-16.37,;1.48,-19.01,;3.03,-19.04,;.69,-20.33,;1.44,-21.68,;2.98,-21.71,;3.78,-20.38,;5.31,-20.41,;6.06,-21.76,;6.11,-19.09,;.65,-23,;-.89,-22.97,;1.4,-24.35,;.61,-25.67,;-.93,-25.64,;-1.72,-26.96,;-1.12,-28.38,;-2.28,-29.39,;-3.6,-28.6,;-3.26,-27.1,;1.36,-27.01,;2.9,-27.04,;.57,-28.33,;1.32,-29.68,;.53,-31,;-1.02,-30.97,;2.86,-29.71,;3.64,-28.38,;3.6,-31.05,;5.14,-31.07,;5.89,-32.42,;5.09,-33.74,;5.84,-35.09,;5.05,-36.41,;5.93,-29.76,;5.18,-28.41,;7.48,-29.78,;8.26,-28.46,;7.69,-27.03,;8.73,-25.41,;8.72,-17.1,;7.63,-16.01,;30.7,-17.04,;30.67,-22.24,;29.33,-22.99,;29.3,-24.53,;27.96,-25.28,;27.94,-26.83,;26.59,-27.57,;25.27,-26.78,;25.29,-25.25,;23.93,-27.54,;23.9,-29.08,;25.22,-29.86,;26.63,-29.26,;27.65,-30.42,;26.86,-31.74,;27.32,-33.21,;26.27,-34.34,;24.77,-34,;24.32,-32.53,;25.36,-31.4,;22.6,-26.75,;21.26,-27.5,;21.23,-29.03,;19.93,-26.71,;19.95,-25.17,;21.3,-24.41,;21.33,-22.88,;22.66,-22.13,;22.69,-20.59,;21.37,-19.8,;24.03,-19.84,;18.59,-27.45,;17.26,-26.67,;17.29,-25.13,;15.92,-27.42,;15.9,-28.96,;17.22,-29.75,;18.57,-29,;19.89,-29.79,;19.86,-31.32,;18.52,-32.08,;17.2,-31.29,;14.6,-26.63,;13.26,-27.38,;13.23,-28.92,;11.94,-26.59,;12.04,-25.04,;10.4,-24.68,;9.72,-23.15,;9.55,-26.13,;10.66,-27.4,;9.79,-28.68,;10.46,-30.06,;29.26,-27.62,;30.6,-26.86,;29.23,-29.15,)| Show InChI InChI=1S/C83H127N21O18/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-33-69(109)92-46-71(111)94-65(48-105)79(119)98-60(34-36-68(84)108)75(115)101-64(42-53-45-88-50-93-53)78(118)103-66(49-106)80(120)97-58(29-6-4-2)73(113)99-61-35-37-70(110)89-38-24-23-31-57(72(85)112)95-77(117)63(41-52-44-91-56-30-22-21-28-55(52)56)100-74(114)59(32-25-39-90-83(86)87)96-76(116)62(40-51-26-18-17-19-27-51)102-81(121)67-43-54(107)47-104(67)82(61)122/h17-19,21-22,26-28,30,44-45,50,54,57-67,91,105-107H,3-16,20,23-25,29,31-43,46-49H2,1-2H3,(H2,84,108)(H2,85,112)(H,88,93)(H,89,110)(H,92,109)(H,94,111)(H,95,117)(H,96,116)(H,97,120)(H,98,119)(H,99,113)(H,100,114)(H,101,115)(H,102,121)(H,103,118)(H4,86,87,90)/t54-,57+,58+,59+,60+,61+,62-,63+,64+,65+,66+,67+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant MC4 receptor expressed in BHK570 cells assessed as induction of cMAP accumulation in presence of 0.1% human ser... |
J Med Chem 55: 1969-77 (2012)
Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P |
More data for this
Ligand-Target Pair | |
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