Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50134951' 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)) | BDBM50134951
(CHEMBL409636 | H-Tyr-Val-Nle-c[Asp-His-Phe-Arg-Trp...)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O Show InChI InChI=1S/C79H109N23O14/c1-4-5-23-55(96-77(116)66(45(2)3)102-67(106)53(80)35-48-28-30-51(103)31-29-48)70(109)101-63-40-65(105)87-32-15-14-25-56(69(108)93-57(26-16-33-88-78(82)83)71(110)97-59(68(107)91-43-64(81)104)36-46-18-8-6-9-19-46)94-74(113)61(38-49-41-90-54-24-13-12-22-52(49)54)99-72(111)58(27-17-34-89-79(84)85)95-73(112)60(37-47-20-10-7-11-21-47)98-75(114)62(100-76(63)115)39-50-42-86-44-92-50/h6-13,18-22,24,28-31,41-42,44-45,53,55-63,66,90,103H,4-5,14-17,23,25-27,32-40,43,80H2,1-3H3,(H2,81,104)(H,86,92)(H,87,105)(H,91,107)(H,93,108)(H,94,113)(H,95,112)(H,96,116)(H,97,110)(H,98,114)(H,99,111)(H,100,115)(H,101,109)(H,102,106)(H4,82,83,88)(H4,84,85,89)/t53-,55-,56+,57-,58-,59-,60+,61+,62-,63-,66-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement. |
J Med Chem 46: 4965-73 (2003)
Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50134951
(CHEMBL409636 | H-Tyr-Val-Nle-c[Asp-His-Phe-Arg-Trp...)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O Show InChI InChI=1S/C79H109N23O14/c1-4-5-23-55(96-77(116)66(45(2)3)102-67(106)53(80)35-48-28-30-51(103)31-29-48)70(109)101-63-40-65(105)87-32-15-14-25-56(69(108)93-57(26-16-33-88-78(82)83)71(110)97-59(68(107)91-43-64(81)104)36-46-18-8-6-9-19-46)94-74(113)61(38-49-41-90-54-24-13-12-22-52(49)54)99-72(111)58(27-17-34-89-79(84)85)95-73(112)60(37-47-20-10-7-11-21-47)98-75(114)62(100-76(63)115)39-50-42-86-44-92-50/h6-13,18-22,24,28-31,41-42,44-45,53,55-63,66,90,103H,4-5,14-17,23,25-27,32-40,43,80H2,1-3H3,(H2,81,104)(H,86,92)(H,87,105)(H,91,107)(H,93,108)(H,94,113)(H,95,112)(H,96,116)(H,97,110)(H,98,114)(H,99,111)(H,100,115)(H,101,109)(H,102,106)(H4,82,83,88)(H4,84,85,89)/t53-,55-,56+,57-,58-,59-,60+,61+,62-,63-,66-/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 | 340 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Intracellular cAMP accumulation in Melanocortin 4 receptor functional assay. |
J Med Chem 46: 4965-73 (2003)
Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P |
More data for this
Ligand-Target Pair | |
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