Found 3 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50263820' 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)) | BDBM50263820
(CHEMBL4104465)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=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)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r| Show InChI InChI=1S/C79H107N23O17S2/c1-4-42(2)63-74(116)98-57-39-120-121-40-58(97-66(108)50(23-13-27-85-78(80)81)90-61(104)38-88-65(107)54(35-62(105)106)93-72(114)59-25-15-29-101(59)76(118)55(95-70(57)112)32-45-19-9-6-10-20-45)71(113)100-64(43(3)103)75(117)94-53(34-47-37-84-41-89-47)69(111)92-52(31-44-17-7-5-8-18-44)68(110)91-51(24-14-28-86-79(82)83)67(109)96-56(33-46-36-87-49-22-12-11-21-48(46)49)77(119)102-30-16-26-60(102)73(115)99-63/h5-12,17-22,36-37,41-43,50-60,63-64,87,103H,4,13-16,23-35,38-40H2,1-3H3,(H,84,89)(H,88,107)(H,90,104)(H,91,110)(H,92,111)(H,93,114)(H,94,117)(H,95,112)(H,96,109)(H,97,108)(H,98,116)(H,99,115)(H,100,113)(H,105,106)(H4,80,81,85)(H4,82,83,86)/t42-,43+,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,63-,64-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.79E+3 | 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)) | BDBM50263820
(CHEMBL4104465)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=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)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r| Show InChI InChI=1S/C79H107N23O17S2/c1-4-42(2)63-74(116)98-57-39-120-121-40-58(97-66(108)50(23-13-27-85-78(80)81)90-61(104)38-88-65(107)54(35-62(105)106)93-72(114)59-25-15-29-101(59)76(118)55(95-70(57)112)32-45-19-9-6-10-20-45)71(113)100-64(43(3)103)75(117)94-53(34-47-37-84-41-89-47)69(111)92-52(31-44-17-7-5-8-18-44)68(110)91-51(24-14-28-86-79(82)83)67(109)96-56(33-46-36-87-49-22-12-11-21-48(46)49)77(119)102-30-16-26-60(102)73(115)99-63/h5-12,17-22,36-37,41-43,50-60,63-64,87,103H,4,13-16,23-35,38-40H2,1-3H3,(H,84,89)(H,88,107)(H,90,104)(H,91,110)(H,92,111)(H,93,114)(H,94,117)(H,95,112)(H,96,109)(H,97,108)(H,98,116)(H,99,115)(H,100,113)(H,105,106)(H4,80,81,85)(H4,82,83,86)/t42-,43+,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,63-,64-/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 | 2.46E+3 | 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)) | BDBM50263820
(CHEMBL4104465)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=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)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r| Show InChI InChI=1S/C79H107N23O17S2/c1-4-42(2)63-74(116)98-57-39-120-121-40-58(97-66(108)50(23-13-27-85-78(80)81)90-61(104)38-88-65(107)54(35-62(105)106)93-72(114)59-25-15-29-101(59)76(118)55(95-70(57)112)32-45-19-9-6-10-20-45)71(113)100-64(43(3)103)75(117)94-53(34-47-37-84-41-89-47)69(111)92-52(31-44-17-7-5-8-18-44)68(110)91-51(24-14-28-86-79(82)83)67(109)96-56(33-46-36-87-49-22-12-11-21-48(46)49)77(119)102-30-16-26-60(102)73(115)99-63/h5-12,17-22,36-37,41-43,50-60,63-64,87,103H,4,13-16,23-35,38-40H2,1-3H3,(H,84,89)(H,88,107)(H,90,104)(H,91,110)(H,92,111)(H,93,114)(H,94,117)(H,95,112)(H,96,109)(H,97,108)(H,98,116)(H,99,115)(H,100,113)(H,105,106)(H4,80,81,85)(H4,82,83,86)/t42-,43+,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,63-,64-/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 | 148 | 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 | |
Search and Browse
