Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50451531' 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)) | BDBM50451531
(CHEMBL2112064)Show SMILES CCCCC(=O)N[C@@]1(CCc2ccccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:20.22,31.34,wD:7.6,42.45,(4.56,-4.81,;5.18,-6.21,;4.27,-7.45,;4.88,-8.87,;3.94,-10.11,;2.43,-9.92,;4.56,-11.51,;3.64,-12.75,;2.71,-14.01,;1.17,-13.82,;.56,-12.4,;-.98,-12.19,;-1.56,-10.76,;-.63,-9.55,;.89,-9.74,;1.49,-11.14,;3.03,-11.32,;5.02,-13.45,;5.13,-14.85,;6.46,-12.54,;7.79,-13.31,;7.79,-14.85,;9.15,-15.62,;10.48,-14.85,;11.81,-15.62,;11.81,-17.16,;10.48,-17.93,;9.12,-17.16,;9.15,-12.54,;9.15,-11,;10.48,-13.31,;11.81,-12.54,;11.81,-11,;13.16,-10.23,;13.16,-8.69,;14.49,-7.92,;14.49,-6.35,;15.82,-5.58,;13.16,-5.58,;13.16,-13.31,;13.14,-14.85,;14.49,-12.54,;15.82,-13.31,;15.82,-14.85,;17.15,-15.62,;18.57,-15.01,;19.6,-16.15,;18.81,-17.48,;19.28,-18.95,;18.27,-20.1,;16.75,-19.77,;16.29,-18.3,;17.31,-17.16,;17.15,-12.54,;17.17,-11,;18.5,-13.31,;19.83,-12.54,;21.16,-13.31,;22.49,-12.54,;21.16,-14.87,)| Show InChI InChI=1S/C44H56N10O6/c1-2-3-19-38(56)54-44(21-20-29-14-7-8-15-30(29)25-44)42(60)53-35(23-28-12-5-4-6-13-28)41(59)51-34(18-11-22-48-43(46)47)40(58)52-36(39(57)50-27-37(45)55)24-31-26-49-33-17-10-9-16-32(31)33/h4-10,12-17,26,34-36,49H,2-3,11,18-25,27H2,1H3,(H2,45,55)(H,50,57)(H,51,59)(H,52,58)(H,53,60)(H,54,56)(H4,46,47,48)/t34-,35+,36-,44+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC4R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50451531
(CHEMBL2112064)Show SMILES CCCCC(=O)N[C@@]1(CCc2ccccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:20.22,31.34,wD:7.6,42.45,(4.56,-4.81,;5.18,-6.21,;4.27,-7.45,;4.88,-8.87,;3.94,-10.11,;2.43,-9.92,;4.56,-11.51,;3.64,-12.75,;2.71,-14.01,;1.17,-13.82,;.56,-12.4,;-.98,-12.19,;-1.56,-10.76,;-.63,-9.55,;.89,-9.74,;1.49,-11.14,;3.03,-11.32,;5.02,-13.45,;5.13,-14.85,;6.46,-12.54,;7.79,-13.31,;7.79,-14.85,;9.15,-15.62,;10.48,-14.85,;11.81,-15.62,;11.81,-17.16,;10.48,-17.93,;9.12,-17.16,;9.15,-12.54,;9.15,-11,;10.48,-13.31,;11.81,-12.54,;11.81,-11,;13.16,-10.23,;13.16,-8.69,;14.49,-7.92,;14.49,-6.35,;15.82,-5.58,;13.16,-5.58,;13.16,-13.31,;13.14,-14.85,;14.49,-12.54,;15.82,-13.31,;15.82,-14.85,;17.15,-15.62,;18.57,-15.01,;19.6,-16.15,;18.81,-17.48,;19.28,-18.95,;18.27,-20.1,;16.75,-19.77,;16.29,-18.3,;17.31,-17.16,;17.15,-12.54,;17.17,-11,;18.5,-13.31,;19.83,-12.54,;21.16,-13.31,;22.49,-12.54,;21.16,-14.87,)| Show InChI InChI=1S/C44H56N10O6/c1-2-3-19-38(56)54-44(21-20-29-14-7-8-15-30(29)25-44)42(60)53-35(23-28-12-5-4-6-13-28)41(59)51-34(18-11-22-48-43(46)47)40(58)52-36(39(57)50-27-37(45)55)24-31-26-49-33-17-10-9-16-32(31)33/h4-10,12-17,26,34-36,49H,2-3,11,18-25,27H2,1H3,(H2,45,55)(H,50,57)(H,51,59)(H,52,58)(H,53,60)(H,54,56)(H4,46,47,48)/t34-,35+,36-,44+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC4R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
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