Found 3 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50263816' 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)) | BDBM50263816
(CHEMBL4067967)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C78H115N23O16S2/c1-9-41(3)60-71(112)94-55-39-119-118-38-54(67(108)97-62(44(6)103)72(113)88-43(5)63(104)92-53(37-102)66(107)96-61(42(4)10-2)76(117)101-31-19-27-57(101)75(116)100-30-18-26-56(100)68(109)95-60)93-64(105)50(24-16-28-84-77(79)80)89-69(110)58(33-46-35-86-49-23-15-14-22-48(46)49)98(7)73(114)51(25-17-29-85-78(81)82)90-65(106)52(32-45-20-12-11-13-21-45)91-70(111)59(99(8)74(55)115)34-47-36-83-40-87-47/h11-15,20-23,35-36,40-44,50-62,86,102-103H,9-10,16-19,24-34,37-39H2,1-8H3,(H,83,87)(H,88,113)(H,89,110)(H,90,106)(H,91,111)(H,92,104)(H,93,105)(H,94,112)(H,95,109)(H,96,107)(H,97,108)(H4,79,80,84)(H4,81,82,85)/t41-,42-,43-,44-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 741 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263816
(CHEMBL4067967)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C78H115N23O16S2/c1-9-41(3)60-71(112)94-55-39-119-118-38-54(67(108)97-62(44(6)103)72(113)88-43(5)63(104)92-53(37-102)66(107)96-61(42(4)10-2)76(117)101-31-19-27-57(101)75(116)100-30-18-26-56(100)68(109)95-60)93-64(105)50(24-16-28-84-77(79)80)89-69(110)58(33-46-35-86-49-23-15-14-22-48(46)49)98(7)73(114)51(25-17-29-85-78(81)82)90-65(106)52(32-45-20-12-11-13-21-45)91-70(111)59(99(8)74(55)115)34-47-36-83-40-87-47/h11-15,20-23,35-36,40-44,50-62,86,102-103H,9-10,16-19,24-34,37-39H2,1-8H3,(H,83,87)(H,88,113)(H,89,110)(H,90,106)(H,91,111)(H,92,104)(H,93,105)(H,94,112)(H,95,109)(H,96,107)(H,97,108)(H4,79,80,84)(H4,81,82,85)/t41-,42-,43-,44-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 245 | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R expressed in low doxycyclin-treated HEK293 cell membranes assessed as increase in cAMP production after 45 mins by HTR... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263816
(CHEMBL4067967)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C78H115N23O16S2/c1-9-41(3)60-71(112)94-55-39-119-118-38-54(67(108)97-62(44(6)103)72(113)88-43(5)63(104)92-53(37-102)66(107)96-61(42(4)10-2)76(117)101-31-19-27-57(101)75(116)100-30-18-26-56(100)68(109)95-60)93-64(105)50(24-16-28-84-77(79)80)89-69(110)58(33-46-35-86-49-23-15-14-22-48(46)49)98(7)73(114)51(25-17-29-85-78(81)82)90-65(106)52(32-45-20-12-11-13-21-45)91-70(111)59(99(8)74(55)115)34-47-36-83-40-87-47/h11-15,20-23,35-36,40-44,50-62,86,102-103H,9-10,16-19,24-34,37-39H2,1-8H3,(H,83,87)(H,88,113)(H,89,110)(H,90,106)(H,91,111)(H,92,104)(H,93,105)(H,94,112)(H,95,109)(H,96,107)(H,97,108)(H4,79,80,84)(H4,81,82,85)/t41-,42-,43-,44-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R expressed in high doxycyclin-treated HEK293 cell membranes assessed as increase in cAMP production after 15 mins by HT... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
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