Found 3 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 3' and Ligand = 'BDBM50115373' 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) | BDBM50115373
(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(I)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,(23.38,-8.66,;23.38,-10.2,;22.06,-10.96,;24.72,-10.97,;26.05,-10.21,;26.05,-8.66,;27.39,-7.89,;28.79,-8.52,;29.83,-7.38,;29.06,-6.04,;27.55,-6.36,;27.39,-10.97,;27.39,-12.51,;28.72,-10.21,;30.06,-10.97,;30.06,-12.51,;31.39,-13.29,;32.73,-12.51,;34.05,-13.29,;34.05,-14.83,;35.38,-15.6,;32.72,-15.59,;31.39,-14.82,;31.39,-10.21,;31.39,-8.66,;32.72,-10.97,;34.05,-10.2,;34.05,-8.67,;35.38,-7.89,;35.38,-6.36,;36.72,-5.59,;36.72,-4.06,;35.39,-3.28,;38.06,-3.28,;35.38,-10.97,;35.38,-12.52,;36.72,-10.21,;38.06,-10.98,;38.06,-12.52,;39.39,-13.3,;40.8,-12.67,;41.82,-13.82,;41.06,-15.15,;41.52,-16.62,;40.5,-17.76,;38.99,-17.44,;38.51,-15.97,;39.55,-14.83,;39.39,-10.22,;40.73,-10.98,;39.39,-8.68,)| Show InChI InChI=1S/C34H42IN11O5/c1-19(47)43-29(15-23-17-39-18-42-23)33(51)46-28(13-20-8-10-22(35)11-9-20)32(50)44-26(7-4-12-40-34(37)38)31(49)45-27(30(36)48)14-21-16-41-25-6-3-2-5-24(21)25/h2-3,5-6,8-11,16-18,26-29,41H,4,7,12-15H2,1H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)(H4,37,38,40)/t26-,27-,28+,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Binding constant (Ki) at mouse Melanocortin-3 receptor |
J Med Chem 45: 3073-81 (2002)
BindingDB Entry DOI: 10.7270/Q2KK9CHF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50115373
(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(I)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,(23.38,-8.66,;23.38,-10.2,;22.06,-10.96,;24.72,-10.97,;26.05,-10.21,;26.05,-8.66,;27.39,-7.89,;28.79,-8.52,;29.83,-7.38,;29.06,-6.04,;27.55,-6.36,;27.39,-10.97,;27.39,-12.51,;28.72,-10.21,;30.06,-10.97,;30.06,-12.51,;31.39,-13.29,;32.73,-12.51,;34.05,-13.29,;34.05,-14.83,;35.38,-15.6,;32.72,-15.59,;31.39,-14.82,;31.39,-10.21,;31.39,-8.66,;32.72,-10.97,;34.05,-10.2,;34.05,-8.67,;35.38,-7.89,;35.38,-6.36,;36.72,-5.59,;36.72,-4.06,;35.39,-3.28,;38.06,-3.28,;35.38,-10.97,;35.38,-12.52,;36.72,-10.21,;38.06,-10.98,;38.06,-12.52,;39.39,-13.3,;40.8,-12.67,;41.82,-13.82,;41.06,-15.15,;41.52,-16.62,;40.5,-17.76,;38.99,-17.44,;38.51,-15.97,;39.55,-14.83,;39.39,-10.22,;40.73,-10.98,;39.39,-8.68,)| Show InChI InChI=1S/C34H42IN11O5/c1-19(47)43-29(15-23-17-39-18-42-23)33(51)46-28(13-20-8-10-22(35)11-9-20)32(50)44-26(7-4-12-40-34(37)38)31(49)45-27(30(36)48)14-21-16-41-25-6-3-2-5-24(21)25/h2-3,5-6,8-11,16-18,26-29,41H,4,7,12-15H2,1H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)(H4,37,38,40)/t26-,27-,28+,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse MC3R expressed in HEK293 cells assessed as effect on MT2 peptide-induced response by CRE/beta-galactosidase reporter gen... |
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) | BDBM50115373
(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(I)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,(23.38,-8.66,;23.38,-10.2,;22.06,-10.96,;24.72,-10.97,;26.05,-10.21,;26.05,-8.66,;27.39,-7.89,;28.79,-8.52,;29.83,-7.38,;29.06,-6.04,;27.55,-6.36,;27.39,-10.97,;27.39,-12.51,;28.72,-10.21,;30.06,-10.97,;30.06,-12.51,;31.39,-13.29,;32.73,-12.51,;34.05,-13.29,;34.05,-14.83,;35.38,-15.6,;32.72,-15.59,;31.39,-14.82,;31.39,-10.21,;31.39,-8.66,;32.72,-10.97,;34.05,-10.2,;34.05,-8.67,;35.38,-7.89,;35.38,-6.36,;36.72,-5.59,;36.72,-4.06,;35.39,-3.28,;38.06,-3.28,;35.38,-10.97,;35.38,-12.52,;36.72,-10.21,;38.06,-10.98,;38.06,-12.52,;39.39,-13.3,;40.8,-12.67,;41.82,-13.82,;41.06,-15.15,;41.52,-16.62,;40.5,-17.76,;38.99,-17.44,;38.51,-15.97,;39.55,-14.83,;39.39,-10.22,;40.73,-10.98,;39.39,-8.68,)| Show InChI InChI=1S/C34H42IN11O5/c1-19(47)43-29(15-23-17-39-18-42-23)33(51)46-28(13-20-8-10-22(35)11-9-20)32(50)44-26(7-4-12-40-34(37)38)31(49)45-27(30(36)48)14-21-16-41-25-6-3-2-5-24(21)25/h2-3,5-6,8-11,16-18,26-29,41H,4,7,12-15H2,1H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)(H4,37,38,40)/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 | 56.2 | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity of compound towards 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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