Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50451759' 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 |
|---|
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50451759
(CHEMBL2371219)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,29.31,wD:40.42,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.37,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;8.05,-8.39,;9.5,-8.88,;9.83,-10.36,;11.29,-10.85,;8.69,-11.41,;9.03,-12.9,;7.22,-10.94,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.64,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.97,-6.85,;17.22,-7.76,;16.74,-9.22,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.22,;14.09,-4.76,;13.76,-3.24,;15.55,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)| Show InChI InChI=1S/C38H48Cl2N12O6/c1-2-6-33(54)49-31(16-23-18-44-20-48-23)37(58)51-29(14-21-10-11-25(39)26(40)13-21)36(57)50-28(9-5-12-45-38(42)43)35(56)52-30(34(55)47-19-32(41)53)15-22-17-46-27-8-4-3-7-24(22)27/h3-4,7-8,10-11,13,17-18,20,28-31,46H,2,5-6,9,12,14-16,19H2,1H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t28-,29+,30-,31-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50451759
(CHEMBL2371219)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,29.31,wD:40.42,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.37,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;8.05,-8.39,;9.5,-8.88,;9.83,-10.36,;11.29,-10.85,;8.69,-11.41,;9.03,-12.9,;7.22,-10.94,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.64,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.97,-6.85,;17.22,-7.76,;16.74,-9.22,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.22,;14.09,-4.76,;13.76,-3.24,;15.55,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)| Show InChI InChI=1S/C38H48Cl2N12O6/c1-2-6-33(54)49-31(16-23-18-44-20-48-23)37(58)51-29(14-21-10-11-25(39)26(40)13-21)36(57)50-28(9-5-12-45-38(42)43)35(56)52-30(34(55)47-19-32(41)53)15-22-17-46-27-8-4-3-7-24(22)27/h3-4,7-8,10-11,13,17-18,20,28-31,46H,2,5-6,9,12,14-16,19H2,1H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t28-,29+,30-,31-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
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