Found 3 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50144869' 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
(Mus musculus) | BDBM50144869
(CHEMBL411775 | Tyr-c[Asp-His-DPhe-Arg-Trp-Asn-Ala-...)Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=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](CC(=O)NC(NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NN[C@H]1Cc2ccc(O)cc2NC1=O Show InChI InChI=1S/C73H85N21O17/c1-37-62(100)84-52(27-39-13-6-3-7-14-39)68(106)90-61(71(109)94-91-50(60(99)72(110)111)25-40-18-21-44(95)22-19-40)89-59(98)33-57(93-92-56-28-41-20-23-45(96)31-49(41)83-69(56)107)70(108)87-54(30-43-35-77-36-80-43)67(105)85-51(26-38-11-4-2-5-12-38)65(103)82-48(17-10-24-78-73(75)76)63(101)86-53(29-42-34-79-47-16-9-8-15-46(42)47)66(104)88-55(32-58(74)97)64(102)81-37/h2-9,11-16,18-23,31,34-37,48,50-57,61,79,91-93,95-96H,10,17,24-30,32-33H2,1H3,(H2,74,97)(H,77,80)(H,81,102)(H,82,103)(H,83,107)(H,84,100)(H,85,105)(H,86,101)(H,87,108)(H,88,104)(H,89,98)(H,90,106)(H,94,109)(H,110,111)(H4,75,76,78)/t37-,48+,50-,51+,52+,53-,54+,55+,56-,57+,61?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132) |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144869
(CHEMBL411775 | Tyr-c[Asp-His-DPhe-Arg-Trp-Asn-Ala-...)Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=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](CC(=O)NC(NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NN[C@H]1Cc2ccc(O)cc2NC1=O Show InChI InChI=1S/C73H85N21O17/c1-37-62(100)84-52(27-39-13-6-3-7-14-39)68(106)90-61(71(109)94-91-50(60(99)72(110)111)25-40-18-21-44(95)22-19-40)89-59(98)33-57(93-92-56-28-41-20-23-45(96)31-49(41)83-69(56)107)70(108)87-54(30-43-35-77-36-80-43)67(105)85-51(26-38-11-4-2-5-12-38)65(103)82-48(17-10-24-78-73(75)76)63(101)86-53(29-42-34-79-47-16-9-8-15-46(42)47)66(104)88-55(32-58(74)97)64(102)81-37/h2-9,11-16,18-23,31,34-37,48,50-57,61,79,91-93,95-96H,10,17,24-30,32-33H2,1H3,(H2,74,97)(H,77,80)(H,81,102)(H,82,103)(H,83,107)(H,84,100)(H,85,105)(H,86,101)(H,87,108)(H,88,104)(H,89,98)(H,90,106)(H,94,109)(H,110,111)(H4,75,76,78)/t37-,48+,50-,51+,52+,53-,54+,55+,56-,57+,61?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]NDP-MSH |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144869
(CHEMBL411775 | Tyr-c[Asp-His-DPhe-Arg-Trp-Asn-Ala-...)Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=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](CC(=O)NC(NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NN[C@H]1Cc2ccc(O)cc2NC1=O Show InChI InChI=1S/C73H85N21O17/c1-37-62(100)84-52(27-39-13-6-3-7-14-39)68(106)90-61(71(109)94-91-50(60(99)72(110)111)25-40-18-21-44(95)22-19-40)89-59(98)33-57(93-92-56-28-41-20-23-45(96)31-49(41)83-69(56)107)70(108)87-54(30-43-35-77-36-80-43)67(105)85-51(26-38-11-4-2-5-12-38)65(103)82-48(17-10-24-78-73(75)76)63(101)86-53(29-42-34-79-47-16-9-8-15-46(42)47)66(104)88-55(32-58(74)97)64(102)81-37/h2-9,11-16,18-23,31,34-37,48,50-57,61,79,91-93,95-96H,10,17,24-30,32-33H2,1H3,(H2,74,97)(H,77,80)(H,81,102)(H,82,103)(H,83,107)(H,84,100)(H,85,105)(H,86,101)(H,87,108)(H,88,104)(H,89,98)(H,90,106)(H,94,109)(H,110,111)(H4,75,76,78)/t37-,48+,50-,51+,52+,53-,54+,55+,56-,57+,61?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.180 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Effective concentration against mouse melanocortin MC4 receptor |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
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