Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50134959' 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)) | BDBM50134959
(CHEMBL438235 | H-Tyr-Val-Nle-c[Pen-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]1C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CSSC1(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O Show InChI InChI=1S/C79H109N23O14S2/c1-6-7-23-54(96-75(115)64(44(2)3)101-66(106)52(80)33-47-27-29-50(103)30-28-47)70(110)102-65-76(116)91-41-63(105)93-60(37-49-39-86-43-92-49)73(113)98-58(35-46-20-12-9-13-21-46)71(111)94-55(25-16-31-87-77(82)83)69(109)99-59(36-48-38-89-53-24-15-14-22-51(48)53)72(112)100-61(42-117-118-79(65,4)5)74(114)95-56(26-17-32-88-78(84)85)68(108)97-57(67(107)90-40-62(81)104)34-45-18-10-8-11-19-45/h8-15,18-22,24,27-30,38-39,43-44,52,54-61,64-65,89,103H,6-7,16-17,23,25-26,31-37,40-42,80H2,1-5H3,(H2,81,104)(H,86,92)(H,90,107)(H,91,116)(H,93,105)(H,94,111)(H,95,114)(H,96,115)(H,97,108)(H,98,113)(H,99,109)(H,100,112)(H,101,106)(H,102,110)(H4,82,83,87)(H4,84,85,88)/t52-,54-,55-,56-,57-,58+,59-,60-,61+,64-,65-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | 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)) | BDBM50134959
(CHEMBL438235 | H-Tyr-Val-Nle-c[Pen-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]1C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CSSC1(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O Show InChI InChI=1S/C79H109N23O14S2/c1-6-7-23-54(96-75(115)64(44(2)3)101-66(106)52(80)33-47-27-29-50(103)30-28-47)70(110)102-65-76(116)91-41-63(105)93-60(37-49-39-86-43-92-49)73(113)98-58(35-46-20-12-9-13-21-46)71(111)94-55(25-16-31-87-77(82)83)69(109)99-59(36-48-38-89-53-24-15-14-22-51(48)53)72(112)100-61(42-117-118-79(65,4)5)74(114)95-56(26-17-32-88-78(84)85)68(108)97-57(67(107)90-40-62(81)104)34-45-18-10-8-11-19-45/h8-15,18-22,24,27-30,38-39,43-44,52,54-61,64-65,89,103H,6-7,16-17,23,25-26,31-37,40-42,80H2,1-5H3,(H2,81,104)(H,86,92)(H,90,107)(H,91,116)(H,93,105)(H,94,111)(H,95,114)(H,96,115)(H,97,108)(H,98,113)(H,99,109)(H,100,112)(H,101,106)(H,102,110)(H4,82,83,87)(H4,84,85,88)/t52-,54-,55-,56-,57-,58+,59-,60-,61+,64-,65-/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 | 200 | 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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