Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50250583' 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)) | BDBM50250583
(CHEMBL4089770)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C75H101N21O16/c1-41(2)29-54(95-73(112)63(42(3)4)96-64(103)50(76)30-45-23-25-48(97)26-24-45)65(104)85-38-60(98)88-58(34-47-37-81-40-87-47)71(110)92-56(32-44-17-9-6-10-18-44)69(108)89-53(22-14-28-83-75(79)80)68(107)93-57(33-46-36-84-51-20-12-11-19-49(46)51)70(109)94-59(35-61(99)100)72(111)90-52(21-13-27-82-74(77)78)67(106)91-55(66(105)86-39-62(101)102)31-43-15-7-5-8-16-43/h5-12,15-20,23-26,36-37,40-42,50,52-59,63,84,97H,13-14,21-22,27-35,38-39,76H2,1-4H3,(H,81,87)(H,85,104)(H,86,105)(H,88,98)(H,89,108)(H,90,111)(H,91,106)(H,92,110)(H,93,107)(H,94,109)(H,95,112)(H,96,103)(H,99,100)(H,101,102)(H4,77,78,82)(H4,79,80,83)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method |
J Med Chem 60: 9320-9329 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50250583
(CHEMBL4089770)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C75H101N21O16/c1-41(2)29-54(95-73(112)63(42(3)4)96-64(103)50(76)30-45-23-25-48(97)26-24-45)65(104)85-38-60(98)88-58(34-47-37-81-40-87-47)71(110)92-56(32-44-17-9-6-10-18-44)69(108)89-53(22-14-28-83-75(79)80)68(107)93-57(33-46-36-84-51-20-12-11-19-49(46)51)70(109)94-59(35-61(99)100)72(111)90-52(21-13-27-82-74(77)78)67(106)91-55(66(105)86-39-62(101)102)31-43-15-7-5-8-16-43/h5-12,15-20,23-26,36-37,40-42,50,52-59,63,84,97H,13-14,21-22,27-35,38-39,76H2,1-4H3,(H,81,87)(H,85,104)(H,86,105)(H,88,98)(H,89,108)(H,90,111)(H,91,106)(H,92,110)(H,93,107)(H,94,109)(H,95,112)(H,96,103)(H,99,100)(H,101,102)(H4,77,78,82)(H4,79,80,83)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 444 | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method |
J Med Chem 60: 9320-9329 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB |
More data for this
Ligand-Target Pair | |
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