Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50124767' 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)) | BDBM50124767
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,27.29,wD:38.40,(-4.03,-19.31,;-2.71,-18.54,;-2.71,-17,;-1.37,-16.23,;-.04,-17,;-1.37,-14.69,;-.04,-13.92,;-.04,-12.37,;1.31,-11.6,;2.71,-12.23,;3.74,-11.09,;2.97,-9.75,;1.45,-10.06,;1.31,-14.69,;1.31,-16.23,;2.64,-13.92,;3.97,-14.69,;3.97,-16.23,;5.32,-17.01,;6.65,-16.23,;7.98,-17.01,;7.98,-18.55,;6.65,-19.32,;5.32,-18.55,;5.32,-13.92,;5.32,-12.37,;6.65,-14.69,;7.98,-13.92,;7.98,-12.37,;9.31,-11.6,;9.31,-10.06,;10.66,-9.29,;10.66,-7.74,;12,-6.98,;9.31,-6.98,;9.31,-14.69,;9.31,-16.23,;10.66,-13.92,;12,-14.69,;12,-16.23,;13.32,-17.01,;14.67,-16.23,;16.01,-17.01,;16.01,-18.55,;14.68,-19.32,;14.68,-20.86,;13.35,-21.65,;12,-20.87,;11.99,-19.32,;13.32,-18.55,;13.32,-13.92,;13.32,-12.37,;14.67,-14.69,;16.01,-13.92,;17.34,-14.69,;18.67,-13.92,;17.34,-16.23,)| Show InChI InChI=1S/C40H51N11O6/c1-2-10-35(53)48-33(21-28-22-44-24-47-28)39(57)50-31(19-25-11-4-3-5-12-25)38(56)49-30(17-9-18-45-40(42)43)37(55)51-32(36(54)46-23-34(41)52)20-27-15-8-14-26-13-6-7-16-29(26)27/h3-8,11-16,22,24,30-33H,2,9-10,17-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124767
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,27.29,wD:38.40,(-4.03,-19.31,;-2.71,-18.54,;-2.71,-17,;-1.37,-16.23,;-.04,-17,;-1.37,-14.69,;-.04,-13.92,;-.04,-12.37,;1.31,-11.6,;2.71,-12.23,;3.74,-11.09,;2.97,-9.75,;1.45,-10.06,;1.31,-14.69,;1.31,-16.23,;2.64,-13.92,;3.97,-14.69,;3.97,-16.23,;5.32,-17.01,;6.65,-16.23,;7.98,-17.01,;7.98,-18.55,;6.65,-19.32,;5.32,-18.55,;5.32,-13.92,;5.32,-12.37,;6.65,-14.69,;7.98,-13.92,;7.98,-12.37,;9.31,-11.6,;9.31,-10.06,;10.66,-9.29,;10.66,-7.74,;12,-6.98,;9.31,-6.98,;9.31,-14.69,;9.31,-16.23,;10.66,-13.92,;12,-14.69,;12,-16.23,;13.32,-17.01,;14.67,-16.23,;16.01,-17.01,;16.01,-18.55,;14.68,-19.32,;14.68,-20.86,;13.35,-21.65,;12,-20.87,;11.99,-19.32,;13.32,-18.55,;13.32,-13.92,;13.32,-12.37,;14.67,-14.69,;16.01,-13.92,;17.34,-14.69,;18.67,-13.92,;17.34,-16.23,)| Show InChI InChI=1S/C40H51N11O6/c1-2-10-35(53)48-33(21-28-22-44-24-47-28)39(57)50-31(19-25-11-4-3-5-12-25)38(56)49-30(17-9-18-45-40(42)43)37(55)51-32(36(54)46-23-34(41)52)20-27-15-8-14-26-13-6-7-16-29(26)27/h3-8,11-16,22,24,30-33H,2,9-10,17-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
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