Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50268802' 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)) | BDBM50268802
(Ac-Nle-c[Asp-cis-4-guanidinyl-Pro-DNal(2')-Arg-Trp...)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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](CN2C1=O)N=C(N)N)C(N)=O |r,wU:4.4,12.11,21.81,50.52,wD:25.25,39.41,65.73,67.77,(39.57,-47.74,;38.21,-47.02,;38.16,-45.48,;36.8,-44.75,;36.75,-43.21,;38.06,-42.4,;38,-40.86,;39.31,-40.04,;36.65,-40.13,;35.39,-42.49,;35.34,-40.95,;34.08,-43.3,;32.72,-42.58,;31.42,-43.39,;31.47,-44.93,;32.83,-45.65,;30.16,-45.74,;28.8,-45.02,;27.49,-45.83,;26.13,-45.1,;24.82,-45.91,;23.47,-45.19,;23.42,-43.65,;22.06,-42.92,;20.75,-43.74,;22.01,-41.38,;20.63,-40.65,;19.18,-41.16,;17.92,-40.26,;16.69,-41.18,;17.19,-42.65,;16.46,-44,;17.25,-45.3,;18.8,-45.26,;19.52,-43.91,;18.73,-42.62,;23.31,-40.57,;24.63,-40.8,;25.96,-41.59,;23.26,-39.03,;21.9,-38.31,;21.85,-36.77,;20.5,-36.04,;20.44,-34.5,;19.08,-33.78,;19.04,-32.24,;17.77,-34.59,;24.57,-38.22,;25.93,-38.94,;25.98,-40.48,;27.24,-38.13,;27.19,-36.59,;25.83,-35.86,;24.52,-36.68,;23.17,-35.96,;23.11,-34.42,;21.76,-33.69,;21.71,-32.15,;23.02,-31.33,;24.38,-32.07,;24.43,-33.61,;25.78,-34.33,;28.59,-38.85,;29.91,-38.05,;29.86,-36.5,;31.27,-38.78,;32.35,-37.67,;33.85,-38.07,;33.84,-39.61,;31.31,-40.3,;32.67,-41.04,;33.98,-40.22,;35.07,-37.14,;34.87,-35.61,;33.45,-35.01,;36.1,-34.67,;22.16,-46,;20.8,-45.28,;22.21,-47.54,)| Show InChI InChI=1S/C54H74N16O9/c1-3-4-15-39(63-30(2)71)47(74)69-43-27-45(72)60-21-10-9-17-38(46(55)73)65-50(77)42(25-34-28-62-37-16-8-7-14-36(34)37)67-48(75)40(18-11-22-61-53(56)57)66-49(76)41(24-31-19-20-32-12-5-6-13-33(32)23-31)68-51(78)44-26-35(64-54(58)59)29-70(44)52(43)79/h5-8,12-14,16,19-20,23,28,35,38-44,62H,3-4,9-11,15,17-18,21-22,24-27,29H2,1-2H3,(H2,55,73)(H,60,72)(H,63,71)(H,65,77)(H,66,76)(H,67,75)(H,68,78)(H,69,74)(H4,56,57,61)(H4,58,59,64)/t35-,38-,39-,40-,41+,42-,43-,44-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC1R expressed in HEK293 cells |
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)) | BDBM50268802
(Ac-Nle-c[Asp-cis-4-guanidinyl-Pro-DNal(2')-Arg-Trp...)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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](CN2C1=O)N=C(N)N)C(N)=O |r,wU:4.4,12.11,21.81,50.52,wD:25.25,39.41,65.73,67.77,(39.57,-47.74,;38.21,-47.02,;38.16,-45.48,;36.8,-44.75,;36.75,-43.21,;38.06,-42.4,;38,-40.86,;39.31,-40.04,;36.65,-40.13,;35.39,-42.49,;35.34,-40.95,;34.08,-43.3,;32.72,-42.58,;31.42,-43.39,;31.47,-44.93,;32.83,-45.65,;30.16,-45.74,;28.8,-45.02,;27.49,-45.83,;26.13,-45.1,;24.82,-45.91,;23.47,-45.19,;23.42,-43.65,;22.06,-42.92,;20.75,-43.74,;22.01,-41.38,;20.63,-40.65,;19.18,-41.16,;17.92,-40.26,;16.69,-41.18,;17.19,-42.65,;16.46,-44,;17.25,-45.3,;18.8,-45.26,;19.52,-43.91,;18.73,-42.62,;23.31,-40.57,;24.63,-40.8,;25.96,-41.59,;23.26,-39.03,;21.9,-38.31,;21.85,-36.77,;20.5,-36.04,;20.44,-34.5,;19.08,-33.78,;19.04,-32.24,;17.77,-34.59,;24.57,-38.22,;25.93,-38.94,;25.98,-40.48,;27.24,-38.13,;27.19,-36.59,;25.83,-35.86,;24.52,-36.68,;23.17,-35.96,;23.11,-34.42,;21.76,-33.69,;21.71,-32.15,;23.02,-31.33,;24.38,-32.07,;24.43,-33.61,;25.78,-34.33,;28.59,-38.85,;29.91,-38.05,;29.86,-36.5,;31.27,-38.78,;32.35,-37.67,;33.85,-38.07,;33.84,-39.61,;31.31,-40.3,;32.67,-41.04,;33.98,-40.22,;35.07,-37.14,;34.87,-35.61,;33.45,-35.01,;36.1,-34.67,;22.16,-46,;20.8,-45.28,;22.21,-47.54,)| Show InChI InChI=1S/C54H74N16O9/c1-3-4-15-39(63-30(2)71)47(74)69-43-27-45(72)60-21-10-9-17-38(46(55)73)65-50(77)42(25-34-28-62-37-16-8-7-14-36(34)37)67-48(75)40(18-11-22-61-53(56)57)66-49(76)41(24-31-19-20-32-12-5-6-13-33(32)23-31)68-51(78)44-26-35(64-54(58)59)29-70(44)52(43)79/h5-8,12-14,16,19-20,23,28,35,38-44,62H,3-4,9-11,15,17-18,21-22,24-27,29H2,1-2H3,(H2,55,73)(H,60,72)(H,63,71)(H,65,77)(H,66,76)(H,67,75)(H,68,78)(H,69,74)(H4,56,57,61)(H4,58,59,64)/t35-,38-,39-,40-,41+,42-,43-,44-/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 | 1.70E+3 | 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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