Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 3' and Ligand = 'BDBM50115366' 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 3
(Mus musculus) | BDBM50115366
(2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,26.27,wD:37.38,(19.22,-37.32,;19.23,-38.86,;17.89,-39.63,;20.56,-39.63,;21.89,-38.86,;21.89,-37.32,;23.23,-36.54,;24.64,-37.17,;25.67,-36.02,;24.9,-34.69,;23.39,-35.01,;23.23,-39.63,;23.23,-41.17,;24.56,-38.86,;25.89,-39.63,;25.89,-41.17,;27.23,-41.94,;28.56,-41.16,;29.9,-41.93,;29.9,-43.48,;31.22,-44.24,;28.56,-44.25,;27.23,-43.47,;27.23,-38.86,;27.23,-37.32,;28.56,-39.63,;29.9,-38.86,;29.9,-37.32,;31.23,-36.54,;31.23,-35,;32.56,-34.23,;32.56,-32.69,;31.23,-31.92,;33.9,-31.92,;31.23,-39.63,;31.23,-41.17,;32.56,-38.86,;33.9,-39.63,;33.9,-41.17,;35.19,-42.01,;36.62,-41.45,;37.59,-42.66,;36.76,-43.94,;37.16,-45.43,;36.07,-46.52,;34.59,-46.12,;34.19,-44.63,;35.27,-43.54,;35.23,-38.86,;36.57,-39.63,;35.23,-37.32,)| Show InChI InChI=1S/C34H43N11O6/c1-19(46)42-29(15-22-17-38-18-41-22)33(51)45-28(13-20-8-10-23(47)11-9-20)32(50)43-26(7-4-12-39-34(36)37)31(49)44-27(30(35)48)14-21-16-40-25-6-3-2-5-24(21)25/h2-3,5-6,8-11,16-18,26-29,40,47H,4,7,12-15H2,1H3,(H2,35,48)(H,38,41)(H,42,46)(H,43,50)(H,44,49)(H,45,51)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells by CRE/beta-galactosidase reporter gene assay |
J Med Chem 51: 5585-93 (2008)
Article DOI: 10.1021/jm800291b
BindingDB Entry DOI: 10.7270/Q2K64JZN |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50115366
(2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,26.27,wD:37.38,(19.22,-37.32,;19.23,-38.86,;17.89,-39.63,;20.56,-39.63,;21.89,-38.86,;21.89,-37.32,;23.23,-36.54,;24.64,-37.17,;25.67,-36.02,;24.9,-34.69,;23.39,-35.01,;23.23,-39.63,;23.23,-41.17,;24.56,-38.86,;25.89,-39.63,;25.89,-41.17,;27.23,-41.94,;28.56,-41.16,;29.9,-41.93,;29.9,-43.48,;31.22,-44.24,;28.56,-44.25,;27.23,-43.47,;27.23,-38.86,;27.23,-37.32,;28.56,-39.63,;29.9,-38.86,;29.9,-37.32,;31.23,-36.54,;31.23,-35,;32.56,-34.23,;32.56,-32.69,;31.23,-31.92,;33.9,-31.92,;31.23,-39.63,;31.23,-41.17,;32.56,-38.86,;33.9,-39.63,;33.9,-41.17,;35.19,-42.01,;36.62,-41.45,;37.59,-42.66,;36.76,-43.94,;37.16,-45.43,;36.07,-46.52,;34.59,-46.12,;34.19,-44.63,;35.27,-43.54,;35.23,-38.86,;36.57,-39.63,;35.23,-37.32,)| Show InChI InChI=1S/C34H43N11O6/c1-19(46)42-29(15-22-17-38-18-41-22)33(51)45-28(13-20-8-10-23(47)11-9-20)32(50)43-26(7-4-12-39-34(36)37)31(49)44-27(30(35)48)14-21-16-40-25-6-3-2-5-24(21)25/h2-3,5-6,8-11,16-18,26-29,40,47H,4,7,12-15H2,1H3,(H2,35,48)(H,38,41)(H,42,46)(H,43,50)(H,44,49)(H,45,51)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity to the mouse Melanocortin-3 receptor (mMC3R) |
J Med Chem 45: 3073-81 (2002)
BindingDB Entry DOI: 10.7270/Q2KK9CHF |
More data for this
Ligand-Target Pair | |
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