Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50268799' 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)) | BDBM50268799
(Ac-Nle-c[Asp-His-DNal(2')-trans-4-guanidinyl-Pro-T...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)N=C(N)N)C(N)=O |r,wU:46.49,21.81,12.11,4.4,41.77,39.45,wD:61.66,25.25,(17.63,-10.54,;16.26,-9.83,;16.2,-8.29,;14.83,-7.58,;14.77,-6.04,;16.07,-5.21,;16,-3.68,;17.31,-2.85,;14.64,-2.96,;13.4,-5.33,;13.34,-3.79,;12.11,-6.15,;10.74,-5.44,;9.44,-6.27,;9.5,-7.81,;10.87,-8.52,;8.21,-8.64,;6.84,-7.92,;5.54,-8.75,;4.17,-8.03,;2.88,-8.86,;1.51,-8.15,;1.44,-6.61,;.08,-5.89,;-1.22,-6.72,;.01,-4.36,;-1.35,-3.64,;-1.42,-2.1,;-.2,-1.15,;-.74,.29,;-2.29,.23,;-3.36,1.32,;-4.84,.92,;-5.24,-.57,;-4.16,-1.64,;-2.69,-1.26,;1.32,-3.53,;1.98,-4.61,;2.31,-6.15,;2.67,-4.24,;3.31,-5.82,;4.85,-5.75,;5.26,-4.27,;3.98,-3.42,;3.91,-1.88,;2.55,-1.17,;5.21,-1.05,;5.15,.48,;3.78,1.2,;2.49,.37,;1.12,1.07,;1.05,2.62,;-.31,3.33,;-.37,4.87,;.93,5.7,;2.3,4.98,;2.36,3.44,;3.72,2.73,;6.58,-1.77,;7.88,-.94,;7.81,.6,;9.24,-1.65,;10.54,-.82,;10.49,.72,;11.7,1.66,;11.17,3.11,;9.64,3.06,;9.21,1.58,;9.31,-3.19,;10.67,-3.9,;11.98,-3.07,;5.79,-6.95,;7.3,-6.73,;8.06,-7.33,;7.86,-5.31,;.21,-8.97,;-1.16,-8.26,;.27,-10.51,)| Show InChI InChI=1S/C54H69N15O9/c1-3-4-14-40(62-30(2)70)48(73)66-43-25-46(71)59-19-10-9-16-39(47(55)72)64-49(74)41(22-34-26-60-38-15-8-7-13-37(34)38)67-52(77)45-24-36(63-54(56)57)28-69(45)53(78)44(21-31-17-18-32-11-5-6-12-33(32)20-31)68-50(75)42(65-51(43)76)23-35-27-58-29-61-35/h5-8,11-13,15,17-18,20,26-27,29,36,39-45,60H,3-4,9-10,14,16,19,21-25,28H2,1-2H3,(H2,55,72)(H,58,61)(H,59,71)(H,62,70)(H,64,74)(H,65,76)(H,66,73)(H,67,77)(H,68,75)(H4,56,57,63)/t36-,39-,40-,41-,42-,43-,44+,45-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level |
J Med Chem 52: 3627-35 (2009)
Article DOI: 10.1021/jm801300c
BindingDB Entry DOI: 10.7270/Q2D21ZJ5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50268799
(Ac-Nle-c[Asp-His-DNal(2')-trans-4-guanidinyl-Pro-T...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)N=C(N)N)C(N)=O |r,wU:46.49,21.81,12.11,4.4,41.77,39.45,wD:61.66,25.25,(17.63,-10.54,;16.26,-9.83,;16.2,-8.29,;14.83,-7.58,;14.77,-6.04,;16.07,-5.21,;16,-3.68,;17.31,-2.85,;14.64,-2.96,;13.4,-5.33,;13.34,-3.79,;12.11,-6.15,;10.74,-5.44,;9.44,-6.27,;9.5,-7.81,;10.87,-8.52,;8.21,-8.64,;6.84,-7.92,;5.54,-8.75,;4.17,-8.03,;2.88,-8.86,;1.51,-8.15,;1.44,-6.61,;.08,-5.89,;-1.22,-6.72,;.01,-4.36,;-1.35,-3.64,;-1.42,-2.1,;-.2,-1.15,;-.74,.29,;-2.29,.23,;-3.36,1.32,;-4.84,.92,;-5.24,-.57,;-4.16,-1.64,;-2.69,-1.26,;1.32,-3.53,;1.98,-4.61,;2.31,-6.15,;2.67,-4.24,;3.31,-5.82,;4.85,-5.75,;5.26,-4.27,;3.98,-3.42,;3.91,-1.88,;2.55,-1.17,;5.21,-1.05,;5.15,.48,;3.78,1.2,;2.49,.37,;1.12,1.07,;1.05,2.62,;-.31,3.33,;-.37,4.87,;.93,5.7,;2.3,4.98,;2.36,3.44,;3.72,2.73,;6.58,-1.77,;7.88,-.94,;7.81,.6,;9.24,-1.65,;10.54,-.82,;10.49,.72,;11.7,1.66,;11.17,3.11,;9.64,3.06,;9.21,1.58,;9.31,-3.19,;10.67,-3.9,;11.98,-3.07,;5.79,-6.95,;7.3,-6.73,;8.06,-7.33,;7.86,-5.31,;.21,-8.97,;-1.16,-8.26,;.27,-10.51,)| Show InChI InChI=1S/C54H69N15O9/c1-3-4-14-40(62-30(2)70)48(73)66-43-25-46(71)59-19-10-9-16-39(47(55)72)64-49(74)41(22-34-26-60-38-15-8-7-13-37(34)38)67-52(77)45-24-36(63-54(56)57)28-69(45)53(78)44(21-31-17-18-32-11-5-6-12-33(32)20-31)68-50(75)42(65-51(43)76)23-35-27-58-29-61-35/h5-8,11-13,15,17-18,20,26-27,29,36,39-45,60H,3-4,9-10,14,16,19,21-25,28H2,1-2H3,(H2,55,72)(H,58,61)(H,59,71)(H,62,70)(H,64,74)(H,65,76)(H,66,73)(H,67,77)(H,68,75)(H4,56,57,63)/t36-,39-,40-,41-,42-,43-,44+,45-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | <0.100 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level |
J Med Chem 52: 3627-35 (2009)
Article DOI: 10.1021/jm801300c
BindingDB Entry DOI: 10.7270/Q2D21ZJ5 |
More data for this
Ligand-Target Pair | |
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