Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 3' and Ligand = 'BDBM50189013' 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
(Homo sapiens (Human)) | BDBM50189013
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(3H-imida...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.43,43.54,(1.84,-9.34,;3.18,-8.56,;4.51,-9.34,;4.51,-10.88,;5.85,-8.58,;7.18,-9.35,;7.18,-10.89,;5.84,-11.66,;5.83,-13.19,;7.17,-13.96,;7.17,-15.49,;8.51,-16.27,;9.84,-15.49,;9.83,-13.95,;8.51,-13.19,;8.51,-11.65,;5.85,-7.03,;4.52,-6.26,;4.52,-4.73,;5.86,-3.95,;7.19,-4.72,;8.53,-3.94,;9.85,-4.71,;11.19,-3.94,;12.52,-4.71,;13.86,-3.94,;15.2,-4.7,;13.86,-2.4,;7.19,-6.27,;8.52,-7.04,;5.85,-2.41,;7.19,-1.65,;4.52,-1.65,;3.18,-2.41,;1.84,-1.66,;.51,-2.41,;-.83,-1.66,;-.82,-.11,;.5,.67,;1.84,-.11,;4.52,-.11,;5.85,.66,;7.2,-.11,;5.85,2.21,;7.2,2.98,;8.54,2.21,;8.7,.67,;10.21,.35,;10.99,1.69,;9.95,2.84,;4.52,2.98,;4.51,4.52,;3.18,5.29,;5.85,5.29,)| Show InChI InChI=1S/C39H48N10O5/c1-25(50)46-31(22-30-23-43-24-45-30)35(51)47-32(20-26-9-4-3-5-10-26)37(53)48-17-18-49(38(54)33(48)13-8-16-44-39(40)41)34(36(52)42-2)21-27-14-15-28-11-6-7-12-29(28)19-27/h3-7,9-12,14-15,19,23-24,31-34H,8,13,16-18,20-22H2,1-2H3,(H,42,52)(H,43,45)(H,46,50)(H,47,51)(H4,40,41,44)/t31-,32+,33-,34-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189013
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(3H-imida...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.43,43.54,(1.84,-9.34,;3.18,-8.56,;4.51,-9.34,;4.51,-10.88,;5.85,-8.58,;7.18,-9.35,;7.18,-10.89,;5.84,-11.66,;5.83,-13.19,;7.17,-13.96,;7.17,-15.49,;8.51,-16.27,;9.84,-15.49,;9.83,-13.95,;8.51,-13.19,;8.51,-11.65,;5.85,-7.03,;4.52,-6.26,;4.52,-4.73,;5.86,-3.95,;7.19,-4.72,;8.53,-3.94,;9.85,-4.71,;11.19,-3.94,;12.52,-4.71,;13.86,-3.94,;15.2,-4.7,;13.86,-2.4,;7.19,-6.27,;8.52,-7.04,;5.85,-2.41,;7.19,-1.65,;4.52,-1.65,;3.18,-2.41,;1.84,-1.66,;.51,-2.41,;-.83,-1.66,;-.82,-.11,;.5,.67,;1.84,-.11,;4.52,-.11,;5.85,.66,;7.2,-.11,;5.85,2.21,;7.2,2.98,;8.54,2.21,;8.7,.67,;10.21,.35,;10.99,1.69,;9.95,2.84,;4.52,2.98,;4.51,4.52,;3.18,5.29,;5.85,5.29,)| Show InChI InChI=1S/C39H48N10O5/c1-25(50)46-31(22-30-23-43-24-45-30)35(51)47-32(20-26-9-4-3-5-10-26)37(53)48-17-18-49(38(54)33(48)13-8-16-44-39(40)41)34(36(52)42-2)21-27-14-15-28-11-6-7-12-29(28)19-27/h3-7,9-12,14-15,19,23-24,31-34H,8,13,16-18,20-22H2,1-2H3,(H,42,52)(H,43,45)(H,46,50)(H,47,51)(H4,40,41,44)/t31-,32+,33-,34-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
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