Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50174073' 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)) | BDBM50174073
(4-(4-Ethoxy-phenyl)-1-pentanoylamino-cyclohexaneca...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccc(OCC)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:47.49,7.6,10.13,wD:7.23,25.26,36.38,(-9.98,-.76,;-8.67,-1.52,;-7.33,-.76,;-6.02,-1.53,;-4.7,-.77,;-4.7,.75,;-3.39,-1.53,;-3,-3,;-4.37,-2.38,;-5.6,-3.28,;-5.42,-4.77,;-4.06,-5.39,;-2.82,-4.49,;-6.66,-5.65,;-6.48,-7.14,;-7.69,-8.04,;-9.08,-7.42,;-10.29,-8.32,;-10.14,-9.82,;-11.37,-10.72,;-9.23,-5.93,;-8.02,-5.03,;-1.77,-2.09,;-1.95,-.6,;-.4,-2.71,;.83,-1.81,;.83,-.27,;1.22,1.25,;.11,2.33,;.5,3.85,;1.99,4.27,;3.1,3.18,;2.71,1.66,;2.09,-2.69,;2.12,-4.23,;3.46,-1.97,;4.69,-2.84,;4.69,-4.41,;6.03,-5.18,;6.03,-6.73,;7.35,-7.45,;8.71,-8.27,;8.71,-9.82,;10.05,-7.5,;5.98,-1.99,;5.98,-.42,;7.35,-2.71,;8.56,-1.81,;8.56,-.27,;9.07,1.18,;10.56,1.61,;10.62,3.16,;9.15,3.67,;8.56,5.11,;7.04,5.32,;6.08,4.11,;6.68,2.67,;8.22,2.46,;9.84,-2.69,;9.84,-4.23,;11.21,-1.97,;12.42,-2.84,;13.71,-1.99,;15.07,-2.71,;13.71,-.42,)| Show InChI InChI=1S/C48H64N10O7/c1-3-5-17-42(60)58-48(24-22-33(23-25-48)32-18-20-35(21-19-32)65-4-2)46(64)57-39(27-31-12-7-6-8-13-31)45(63)55-38(16-11-26-52-47(50)51)44(62)56-40(43(61)54-30-41(49)59)28-34-29-53-37-15-10-9-14-36(34)37/h6-10,12-15,18-21,29,33,38-40,53H,3-5,11,16-17,22-28,30H2,1-2H3,(H2,49,59)(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,58,60)(H4,50,51,52)/t33-,38-,39+,40-,48+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174073
(4-(4-Ethoxy-phenyl)-1-pentanoylamino-cyclohexaneca...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccc(OCC)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:47.49,7.6,10.13,wD:7.23,25.26,36.38,(-9.98,-.76,;-8.67,-1.52,;-7.33,-.76,;-6.02,-1.53,;-4.7,-.77,;-4.7,.75,;-3.39,-1.53,;-3,-3,;-4.37,-2.38,;-5.6,-3.28,;-5.42,-4.77,;-4.06,-5.39,;-2.82,-4.49,;-6.66,-5.65,;-6.48,-7.14,;-7.69,-8.04,;-9.08,-7.42,;-10.29,-8.32,;-10.14,-9.82,;-11.37,-10.72,;-9.23,-5.93,;-8.02,-5.03,;-1.77,-2.09,;-1.95,-.6,;-.4,-2.71,;.83,-1.81,;.83,-.27,;1.22,1.25,;.11,2.33,;.5,3.85,;1.99,4.27,;3.1,3.18,;2.71,1.66,;2.09,-2.69,;2.12,-4.23,;3.46,-1.97,;4.69,-2.84,;4.69,-4.41,;6.03,-5.18,;6.03,-6.73,;7.35,-7.45,;8.71,-8.27,;8.71,-9.82,;10.05,-7.5,;5.98,-1.99,;5.98,-.42,;7.35,-2.71,;8.56,-1.81,;8.56,-.27,;9.07,1.18,;10.56,1.61,;10.62,3.16,;9.15,3.67,;8.56,5.11,;7.04,5.32,;6.08,4.11,;6.68,2.67,;8.22,2.46,;9.84,-2.69,;9.84,-4.23,;11.21,-1.97,;12.42,-2.84,;13.71,-1.99,;15.07,-2.71,;13.71,-.42,)| Show InChI InChI=1S/C48H64N10O7/c1-3-5-17-42(60)58-48(24-22-33(23-25-48)32-18-20-35(21-19-32)65-4-2)46(64)57-39(27-31-12-7-6-8-13-31)45(63)55-38(16-11-26-52-47(50)51)44(62)56-40(43(61)54-30-41(49)59)28-34-29-53-37-15-10-9-14-36(34)37/h6-10,12-15,18-21,29,33,38-40,53H,3-5,11,16-17,22-28,30H2,1-2H3,(H2,49,59)(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,58,60)(H4,50,51,52)/t33-,38-,39+,40-,48+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
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