Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50492972' 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)) | BDBM50492972
(CHEMBL2415080)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCn1cc(CCCCOC(CCC(O)C(C)CCC(O)C(C)CCC(O)C(C)C)C(C)CCC(O)C(C)CCC(O)C(C)C)nn1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C88H143N17O17/c1-10-11-27-66(98-87(121)72(52-106)96-79(112)30-16-13-20-44-105-51-62(103-104-105)25-19-21-45-122-78(59(9)34-39-76(110)57(7)32-37-74(108)55(4)5)41-40-77(111)58(8)33-38-75(109)56(6)31-36-73(107)54(2)3)82(116)99-68(35-42-80(113)114)84(118)102-71(48-63-50-92-53-95-63)86(120)101-70(46-60-23-14-12-15-24-60)85(119)97-67(29-22-43-93-88(90)91)83(117)100-69(81(89)115)47-61-49-94-65-28-18-17-26-64(61)65/h12,14-15,17-18,23-24,26,28,49-51,53-59,66-78,94,106-111H,10-11,13,16,19-22,25,27,29-48,52H2,1-9H3,(H2,89,115)(H,92,95)(H,96,112)(H,97,119)(H,98,121)(H,99,116)(H,100,117)(H,101,120)(H,102,118)(H,113,114)(H4,90,91,93)/t56?,57?,58?,59?,66-,67-,68-,69-,70+,71-,72-,73?,74?,75?,76?,77?,78?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGOMSH(7) from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492972
(CHEMBL2415080)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCn1cc(CCCCOC(CCC(O)C(C)CCC(O)C(C)CCC(O)C(C)C)C(C)CCC(O)C(C)CCC(O)C(C)C)nn1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C88H143N17O17/c1-10-11-27-66(98-87(121)72(52-106)96-79(112)30-16-13-20-44-105-51-62(103-104-105)25-19-21-45-122-78(59(9)34-39-76(110)57(7)32-37-74(108)55(4)5)41-40-77(111)58(8)33-38-75(109)56(6)31-36-73(107)54(2)3)82(116)99-68(35-42-80(113)114)84(118)102-71(48-63-50-92-53-95-63)86(120)101-70(46-60-23-14-12-15-24-60)85(119)97-67(29-22-43-93-88(90)91)83(117)100-69(81(89)115)47-61-49-94-65-28-18-17-26-64(61)65/h12,14-15,17-18,23-24,26,28,49-51,53-59,66-78,94,106-111H,10-11,13,16,19-22,25,27,29-48,52H2,1-9H3,(H2,89,115)(H,92,95)(H,96,112)(H,97,119)(H,98,121)(H,99,116)(H,100,117)(H,101,120)(H,102,118)(H,113,114)(H4,90,91,93)/t56?,57?,58?,59?,66-,67-,68-,69-,70+,71-,72-,73?,74?,75?,76?,77?,78?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGO-NDP-alpha-MSH-NH2 from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
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