Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50389779' 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)) | BDBM50389779
(CHEMBL2070252)Show SMILES CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)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:36.39,27.33,79.80,129.139,118.122,107.111,89.143,wD:17.24,8.13,4.4,93.95,131.136,(5.52,-51.26,;6.31,-49.94,;5.56,-48.59,;6.36,-47.27,;5.61,-45.92,;4.07,-45.92,;3.33,-44.53,;4.11,-43.23,;1.78,-44.53,;.99,-45.84,;1.74,-47.19,;.94,-48.51,;1.69,-49.86,;-.6,-48.51,;1.03,-43.18,;1.82,-41.86,;3.37,-41.86,;1.08,-40.52,;-.47,-40.52,;-1.26,-41.81,;-.65,-43.23,;-1.81,-44.24,;-3.15,-43.45,;-2.79,-41.95,;1.87,-39.19,;1.12,-37.84,;-.42,-37.84,;1.91,-36.53,;3.45,-36.53,;4.24,-35.26,;5.78,-35.26,;6.53,-36.6,;6.58,-33.94,;1.16,-35.18,;1.95,-33.86,;3.49,-33.86,;1.2,-32.52,;2,-31.19,;3.53,-31.19,;-.35,-32.52,;-1.09,-31.14,;-.3,-29.82,;-2.63,-31.14,;-3.38,-29.77,;-2.59,-28.45,;-1.05,-28.45,;-3.33,-27.1,;-2.54,-25.78,;-1,-25.78,;-.25,-27.16,;1.3,-27.16,;2.04,-28.53,;3.58,-28.53,;4.38,-27.27,;5.91,-27.27,;6.66,-28.61,;6.71,-25.95,;8.25,-25.95,;8.99,-27.32,;10.53,-27.32,;11.28,-28.69,;12.82,-28.69,;13.57,-30.07,;15.11,-30.07,;15.85,-31.44,;17.39,-31.44,;18.19,-30.15,;17.44,-28.8,;18.23,-27.48,;17.49,-26.14,;18.28,-24.82,;17.53,-23.47,;15.99,-23.28,;15.71,-21.78,;17.04,-21.02,;18.19,-22.08,;6.4,-44.6,;5.65,-43.26,;7.94,-44.6,;8.73,-43.31,;8.16,-41.88,;9.19,-40.25,;9.19,-31.94,;8.09,-30.86,;31.14,-31.94,;31.14,-37.09,;29.77,-37.84,;29.77,-39.38,;28.41,-40.13,;28.41,-41.67,;27.06,-42.42,;25.74,-41.63,;25.74,-40.1,;24.39,-42.38,;24.39,-43.93,;25.69,-44.71,;27.1,-44.11,;28.12,-45.26,;27.33,-46.58,;27.79,-48.06,;26.74,-49.19,;25.23,-48.85,;24.79,-47.38,;25.83,-46.25,;23.06,-41.6,;21.73,-42.35,;21.73,-43.88,;20.4,-41.56,;20.4,-40.01,;21.77,-39.26,;21.77,-37.73,;23.16,-36.97,;23.16,-35.44,;21.84,-34.65,;24.5,-34.68,;19.06,-42.3,;17.73,-41.52,;17.73,-39.98,;16.39,-42.27,;16.39,-43.81,;17.69,-44.6,;19.03,-43.85,;20.36,-44.64,;20.36,-46.17,;18.99,-46.92,;17.69,-46.13,;15.07,-41.48,;13.73,-42.23,;13.73,-43.76,;12.4,-41.44,;12.51,-39.88,;10.86,-39.53,;10.19,-38,;10.02,-40.97,;11.13,-42.24,;10.26,-43.52,;10.92,-44.91,;29.73,-42.46,;31.07,-41.71,;29.73,-44,)| Show InChI InChI=1S/C93H145N27O20/c1-4-5-30-66(83(129)111-69-37-39-79(125)99-40-25-24-32-65(82(95)128)107-87(133)71(47-60-50-103-64-31-23-22-29-63(60)64)112-84(130)67(33-26-41-101-93(96)97)108-86(132)70(46-59-27-18-17-19-28-59)114-91(137)75-49-62(122)54-120(75)92(69)138)109-89(135)73(52-102-58(2)3)115-88(134)72(48-61-51-98-57-105-61)113-85(131)68(36-38-76(94)123)110-90(136)74(55-121)106-80(126)53-104-81(127)56-140-45-44-139-43-42-100-78(124)35-21-16-14-12-10-8-6-7-9-11-13-15-20-34-77-116-118-119-117-77/h17-19,22-23,27-29,31,50-51,57-58,62,65-75,102-103,121-122H,4-16,20-21,24-26,30,32-49,52-56H2,1-3H3,(H2,94,123)(H2,95,128)(H,98,105)(H,99,125)(H,100,124)(H,104,127)(H,106,126)(H,107,133)(H,108,132)(H,109,135)(H,110,136)(H,111,129)(H,112,130)(H,113,131)(H,114,137)(H,115,134)(H4,96,97,101)(H,116,117,118,119)/t62-,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.260 | 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)) | BDBM50389779
(CHEMBL2070252)Show SMILES CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)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:36.39,27.33,79.80,129.139,118.122,107.111,89.143,wD:17.24,8.13,4.4,93.95,131.136,(5.52,-51.26,;6.31,-49.94,;5.56,-48.59,;6.36,-47.27,;5.61,-45.92,;4.07,-45.92,;3.33,-44.53,;4.11,-43.23,;1.78,-44.53,;.99,-45.84,;1.74,-47.19,;.94,-48.51,;1.69,-49.86,;-.6,-48.51,;1.03,-43.18,;1.82,-41.86,;3.37,-41.86,;1.08,-40.52,;-.47,-40.52,;-1.26,-41.81,;-.65,-43.23,;-1.81,-44.24,;-3.15,-43.45,;-2.79,-41.95,;1.87,-39.19,;1.12,-37.84,;-.42,-37.84,;1.91,-36.53,;3.45,-36.53,;4.24,-35.26,;5.78,-35.26,;6.53,-36.6,;6.58,-33.94,;1.16,-35.18,;1.95,-33.86,;3.49,-33.86,;1.2,-32.52,;2,-31.19,;3.53,-31.19,;-.35,-32.52,;-1.09,-31.14,;-.3,-29.82,;-2.63,-31.14,;-3.38,-29.77,;-2.59,-28.45,;-1.05,-28.45,;-3.33,-27.1,;-2.54,-25.78,;-1,-25.78,;-.25,-27.16,;1.3,-27.16,;2.04,-28.53,;3.58,-28.53,;4.38,-27.27,;5.91,-27.27,;6.66,-28.61,;6.71,-25.95,;8.25,-25.95,;8.99,-27.32,;10.53,-27.32,;11.28,-28.69,;12.82,-28.69,;13.57,-30.07,;15.11,-30.07,;15.85,-31.44,;17.39,-31.44,;18.19,-30.15,;17.44,-28.8,;18.23,-27.48,;17.49,-26.14,;18.28,-24.82,;17.53,-23.47,;15.99,-23.28,;15.71,-21.78,;17.04,-21.02,;18.19,-22.08,;6.4,-44.6,;5.65,-43.26,;7.94,-44.6,;8.73,-43.31,;8.16,-41.88,;9.19,-40.25,;9.19,-31.94,;8.09,-30.86,;31.14,-31.94,;31.14,-37.09,;29.77,-37.84,;29.77,-39.38,;28.41,-40.13,;28.41,-41.67,;27.06,-42.42,;25.74,-41.63,;25.74,-40.1,;24.39,-42.38,;24.39,-43.93,;25.69,-44.71,;27.1,-44.11,;28.12,-45.26,;27.33,-46.58,;27.79,-48.06,;26.74,-49.19,;25.23,-48.85,;24.79,-47.38,;25.83,-46.25,;23.06,-41.6,;21.73,-42.35,;21.73,-43.88,;20.4,-41.56,;20.4,-40.01,;21.77,-39.26,;21.77,-37.73,;23.16,-36.97,;23.16,-35.44,;21.84,-34.65,;24.5,-34.68,;19.06,-42.3,;17.73,-41.52,;17.73,-39.98,;16.39,-42.27,;16.39,-43.81,;17.69,-44.6,;19.03,-43.85,;20.36,-44.64,;20.36,-46.17,;18.99,-46.92,;17.69,-46.13,;15.07,-41.48,;13.73,-42.23,;13.73,-43.76,;12.4,-41.44,;12.51,-39.88,;10.86,-39.53,;10.19,-38,;10.02,-40.97,;11.13,-42.24,;10.26,-43.52,;10.92,-44.91,;29.73,-42.46,;31.07,-41.71,;29.73,-44,)| Show InChI InChI=1S/C93H145N27O20/c1-4-5-30-66(83(129)111-69-37-39-79(125)99-40-25-24-32-65(82(95)128)107-87(133)71(47-60-50-103-64-31-23-22-29-63(60)64)112-84(130)67(33-26-41-101-93(96)97)108-86(132)70(46-59-27-18-17-19-28-59)114-91(137)75-49-62(122)54-120(75)92(69)138)109-89(135)73(52-102-58(2)3)115-88(134)72(48-61-51-98-57-105-61)113-85(131)68(36-38-76(94)123)110-90(136)74(55-121)106-80(126)53-104-81(127)56-140-45-44-139-43-42-100-78(124)35-21-16-14-12-10-8-6-7-9-11-13-15-20-34-77-116-118-119-117-77/h17-19,22-23,27-29,31,50-51,57-58,62,65-75,102-103,121-122H,4-16,20-21,24-26,30,32-49,52-56H2,1-3H3,(H2,94,123)(H2,95,128)(H,98,105)(H,99,125)(H,100,124)(H,104,127)(H,106,126)(H,107,133)(H,108,132)(H,109,135)(H,110,136)(H,111,129)(H,112,130)(H,113,131)(H,114,137)(H,115,134)(H4,96,97,101)(H,116,117,118,119)/t62-,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75+/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 | 15 | 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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