Found 3 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50263804' 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)) | BDBM50263804
(CHEMBL4074074)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@@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]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/C76H111N23O16S2/c1-7-39(3)58-71(112)94-54-36-116-117-37-55(69(110)97-60(42(6)101)72(113)86-41(5)61(102)92-53(35-100)67(108)96-59(40(4)8-2)74(115)99-29-17-25-57(99)73(114)98-28-16-24-56(98)70(111)95-58)93-63(104)49(23-15-27-83-76(79)80)88-65(106)51(31-44-33-84-47-21-13-12-20-46(44)47)90-62(103)48(22-14-26-82-75(77)78)87-64(105)50(30-43-18-10-9-11-19-43)89-66(107)52(91-68(54)109)32-45-34-81-38-85-45/h9-13,18-21,33-34,38-42,48-60,84,100-101H,7-8,14-17,22-32,35-37H2,1-6H3,(H,81,85)(H,86,113)(H,87,105)(H,88,106)(H,89,107)(H,90,103)(H,91,109)(H,92,102)(H,93,104)(H,94,112)(H,95,111)(H,96,108)(H,97,110)(H4,77,78,82)(H4,79,80,83)/t39-,40-,41-,42-,48-,49-,50+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| <1.00E+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)) | BDBM50263804
(CHEMBL4074074)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@@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]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/C76H111N23O16S2/c1-7-39(3)58-71(112)94-54-36-116-117-37-55(69(110)97-60(42(6)101)72(113)86-41(5)61(102)92-53(35-100)67(108)96-59(40(4)8-2)74(115)99-29-17-25-57(99)73(114)98-28-16-24-56(98)70(111)95-58)93-63(104)49(23-15-27-83-76(79)80)88-65(106)51(31-44-33-84-47-21-13-12-20-46(44)47)90-62(103)48(22-14-26-82-75(77)78)87-64(105)50(30-43-18-10-9-11-19-43)89-66(107)52(91-68(54)109)32-45-34-81-38-85-45/h9-13,18-21,33-34,38-42,48-60,84,100-101H,7-8,14-17,22-32,35-37H2,1-6H3,(H,81,85)(H,86,113)(H,87,105)(H,88,106)(H,89,107)(H,90,103)(H,91,109)(H,92,102)(H,93,104)(H,94,112)(H,95,111)(H,96,108)(H,97,110)(H4,77,78,82)(H4,79,80,83)/t39-,40-,41-,42-,48-,49-,50+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/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 | <1.00E+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)) | BDBM50263804
(CHEMBL4074074)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@@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]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/C76H111N23O16S2/c1-7-39(3)58-71(112)94-54-36-116-117-37-55(69(110)97-60(42(6)101)72(113)86-41(5)61(102)92-53(35-100)67(108)96-59(40(4)8-2)74(115)99-29-17-25-57(99)73(114)98-28-16-24-56(98)70(111)95-58)93-63(104)49(23-15-27-83-76(79)80)88-65(106)51(31-44-33-84-47-21-13-12-20-46(44)47)90-62(103)48(22-14-26-82-75(77)78)87-64(105)50(30-43-18-10-9-11-19-43)89-66(107)52(91-68(54)109)32-45-34-81-38-85-45/h9-13,18-21,33-34,38-42,48-60,84,100-101H,7-8,14-17,22-32,35-37H2,1-6H3,(H,81,85)(H,86,113)(H,87,105)(H,88,106)(H,89,107)(H,90,103)(H,91,109)(H,92,102)(H,93,104)(H,94,112)(H,95,111)(H,96,108)(H,97,110)(H4,77,78,82)(H4,79,80,83)/t39-,40-,41-,42-,48-,49-,50+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/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 | 87 | 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 | |