Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50165926' 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)) | BDBM50165926
(Ac-YR[CEHdFRWC]SPPKD-NH2 | CHEMBL2373515)Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1CSSC[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](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O |wU:103.110,32.96,27.27,4.3,72.76,114.121,61.64,50.53,wD:110.118,94.99,16.16,123.130,36.37,82.87,(-1.2,-14.32,;-.65,-12.88,;.87,-12.64,;-1.63,-11.7,;-1.07,-10.25,;-2.62,-10.24,;-3.96,-9.47,;-5.2,-10.39,;-6.61,-9.78,;-6.79,-8.24,;-8.2,-7.63,;-5.55,-7.32,;-4.14,-7.93,;.45,-10.01,;1.41,-11.19,;.99,-8.56,;.02,-7.37,;1.51,-6.97,;3.03,-6.87,;3.9,-8.14,;5.44,-8.04,;6.29,-9.31,;7.83,-9.22,;5.61,-10.7,;-1.49,-7.62,;-2.04,-9.06,;-2.48,-6.43,;-1.91,-4.99,;-.42,-5.33,;1.11,-5.27,;2.58,-4.78,;3.85,-3.92,;4.85,-2.75,;5.49,-1.36,;5.74,.16,;7.28,.13,;5.56,1.69,;7.06,2.08,;8.14,3.18,;9.06,4.42,;10.51,3.93,;10.5,2.38,;11.63,1.35,;11.28,-.15,;9.82,-.62,;8.7,.44,;9.03,1.94,;4.98,3.11,;4.04,4.33,;5.12,5.43,;2.81,5.24,;3.54,6.6,;5.09,6.63,;5.82,7.98,;7.36,8,;8.1,9.36,;9.64,9.4,;7.3,10.67,;1.37,5.79,;-.16,5.95,;-.23,7.47,;-1.68,5.67,;-2.16,7.12,;-1.14,8.26,;.38,7.93,;1.39,9.08,;.91,10.56,;-.6,10.86,;-1.62,9.71,;-3.06,4.97,;-4.21,3.95,;-5.38,4.96,;-5.04,2.66,;-6.44,3.31,;-6.58,4.84,;-5.42,5.85,;-6.02,7.26,;-7.56,7.12,;-7.89,5.62,;-5.48,1.19,;-5.52,-.35,;-7.05,-.52,;-5.13,-1.84,;-6.56,-2.42,;-7.8,-1.48,;-9.21,-2.06,;-10.42,-1.11,;-9.42,-3.59,;-4.38,-3.17,;-3.27,-4.25,;-4.19,-5.49,;6.15,-3.59,;6.08,-5.12,;7.51,-2.88,;8.81,-3.7,;8.73,-5.24,;10.04,-6.07,;10.17,-3,;10.25,-1.46,;11.47,-3.71,;10.78,-2.02,;11.57,-.8,;12.9,-1.58,;12.83,-3.12,;14.14,-3.95,;14.07,-5.49,;15.34,-3.36,;14.94,-4.86,;15.22,-6.01,;16.72,-5.61,;16.79,-4.06,;18.17,-3.36,;18.22,-1.83,;19.46,-4.2,;20.82,-3.48,;20.9,-1.95,;22.25,-1.24,;22.33,.3,;23.7,1,;23.77,2.55,;22.11,-4.31,;22.04,-5.85,;23.49,-3.61,;24.79,-4.43,;24.71,-5.98,;26.01,-6.8,;27.51,-7.2,;25.94,-8.33,;26.15,-3.73,;27.45,-4.56,;26.22,-2.19,)| Show InChI InChI=1S/C83H115N25O21S2/c1-44(110)95-57(34-46-22-24-49(111)25-23-46)73(121)96-54(19-10-30-92-83(88)89)71(119)105-62-41-130-131-42-63(78(126)104-61(40-109)80(128)108-32-12-21-65(108)81(129)107-31-11-20-64(107)79(127)99-52(17-7-8-28-84)69(117)100-56(68(85)116)37-67(114)115)106-75(123)59(35-47-38-93-51-16-6-5-15-50(47)51)102-70(118)53(18-9-29-91-82(86)87)97-74(122)58(33-45-13-3-2-4-14-45)101-76(124)60(36-48-39-90-43-94-48)103-72(120)55(98-77(62)125)26-27-66(112)113/h2-6,13-16,22-25,38-39,43,52-65,93,109,111H,7-12,17-21,26-37,40-42,84H2,1H3,(H2,85,116)(H,90,94)(H,95,110)(H,96,121)(H,97,122)(H,98,125)(H,99,127)(H,100,117)(H,101,124)(H,102,118)(H,103,120)(H,104,126)(H,105,119)(H,106,123)(H,112,113)(H,114,115)(H4,86,87,91)(H4,88,89,92)/t52-,53-,54?,55+,56-,57-,58-,59+,60-,61-,62+,63+,64-,65-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50165926
(Ac-YR[CEHdFRWC]SPPKD-NH2 | CHEMBL2373515)Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1CSSC[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](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O |wU:103.110,32.96,27.27,4.3,72.76,114.121,61.64,50.53,wD:110.118,94.99,16.16,123.130,36.37,82.87,(-1.2,-14.32,;-.65,-12.88,;.87,-12.64,;-1.63,-11.7,;-1.07,-10.25,;-2.62,-10.24,;-3.96,-9.47,;-5.2,-10.39,;-6.61,-9.78,;-6.79,-8.24,;-8.2,-7.63,;-5.55,-7.32,;-4.14,-7.93,;.45,-10.01,;1.41,-11.19,;.99,-8.56,;.02,-7.37,;1.51,-6.97,;3.03,-6.87,;3.9,-8.14,;5.44,-8.04,;6.29,-9.31,;7.83,-9.22,;5.61,-10.7,;-1.49,-7.62,;-2.04,-9.06,;-2.48,-6.43,;-1.91,-4.99,;-.42,-5.33,;1.11,-5.27,;2.58,-4.78,;3.85,-3.92,;4.85,-2.75,;5.49,-1.36,;5.74,.16,;7.28,.13,;5.56,1.69,;7.06,2.08,;8.14,3.18,;9.06,4.42,;10.51,3.93,;10.5,2.38,;11.63,1.35,;11.28,-.15,;9.82,-.62,;8.7,.44,;9.03,1.94,;4.98,3.11,;4.04,4.33,;5.12,5.43,;2.81,5.24,;3.54,6.6,;5.09,6.63,;5.82,7.98,;7.36,8,;8.1,9.36,;9.64,9.4,;7.3,10.67,;1.37,5.79,;-.16,5.95,;-.23,7.47,;-1.68,5.67,;-2.16,7.12,;-1.14,8.26,;.38,7.93,;1.39,9.08,;.91,10.56,;-.6,10.86,;-1.62,9.71,;-3.06,4.97,;-4.21,3.95,;-5.38,4.96,;-5.04,2.66,;-6.44,3.31,;-6.58,4.84,;-5.42,5.85,;-6.02,7.26,;-7.56,7.12,;-7.89,5.62,;-5.48,1.19,;-5.52,-.35,;-7.05,-.52,;-5.13,-1.84,;-6.56,-2.42,;-7.8,-1.48,;-9.21,-2.06,;-10.42,-1.11,;-9.42,-3.59,;-4.38,-3.17,;-3.27,-4.25,;-4.19,-5.49,;6.15,-3.59,;6.08,-5.12,;7.51,-2.88,;8.81,-3.7,;8.73,-5.24,;10.04,-6.07,;10.17,-3,;10.25,-1.46,;11.47,-3.71,;10.78,-2.02,;11.57,-.8,;12.9,-1.58,;12.83,-3.12,;14.14,-3.95,;14.07,-5.49,;15.34,-3.36,;14.94,-4.86,;15.22,-6.01,;16.72,-5.61,;16.79,-4.06,;18.17,-3.36,;18.22,-1.83,;19.46,-4.2,;20.82,-3.48,;20.9,-1.95,;22.25,-1.24,;22.33,.3,;23.7,1,;23.77,2.55,;22.11,-4.31,;22.04,-5.85,;23.49,-3.61,;24.79,-4.43,;24.71,-5.98,;26.01,-6.8,;27.51,-7.2,;25.94,-8.33,;26.15,-3.73,;27.45,-4.56,;26.22,-2.19,)| Show InChI InChI=1S/C83H115N25O21S2/c1-44(110)95-57(34-46-22-24-49(111)25-23-46)73(121)96-54(19-10-30-92-83(88)89)71(119)105-62-41-130-131-42-63(78(126)104-61(40-109)80(128)108-32-12-21-65(108)81(129)107-31-11-20-64(107)79(127)99-52(17-7-8-28-84)69(117)100-56(68(85)116)37-67(114)115)106-75(123)59(35-47-38-93-51-16-6-5-15-50(47)51)102-70(118)53(18-9-29-91-82(86)87)97-74(122)58(33-45-13-3-2-4-14-45)101-76(124)60(36-48-39-90-43-94-48)103-72(120)55(98-77(62)125)26-27-66(112)113/h2-6,13-16,22-25,38-39,43,52-65,93,109,111H,7-12,17-21,26-37,40-42,84H2,1H3,(H2,85,116)(H,90,94)(H,95,110)(H,96,121)(H,97,122)(H,98,125)(H,99,127)(H,100,117)(H,101,124)(H,102,118)(H,103,120)(H,104,126)(H,105,119)(H,106,123)(H,112,113)(H,114,115)(H4,86,87,91)(H4,88,89,92)/t52-,53-,54?,55+,56-,57-,58-,59+,60-,61-,62+,63+,64-,65-/m0/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 | 0.240 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human Melanocortin-4 receptor as peptide required for 50% maximal cAMP release (n > or =2) |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
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