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Compile Data Set for Download or QSAR

Found 2 hits of kd for monomerid = 50034922   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 3


(Mus musculus)
BDBM50034922
PNG
((S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-y...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,25.26,wD:36.37,(-8.22,-36.2,;-8.22,-37.74,;-9.55,-38.51,;-6.89,-38.5,;-5.56,-37.74,;-5.56,-36.2,;-4.23,-35.43,;-2.82,-36.06,;-1.79,-34.91,;-2.55,-33.58,;-4.06,-33.9,;-4.22,-38.5,;-4.22,-40.05,;-2.89,-37.73,;-1.56,-38.5,;-1.56,-40.04,;-.23,-40.81,;1.1,-40.05,;2.44,-40.82,;2.44,-42.35,;1.1,-43.12,;-.23,-42.35,;-.22,-37.73,;-.22,-36.19,;1.11,-38.5,;2.45,-37.74,;2.45,-36.2,;3.78,-35.43,;3.78,-33.89,;5.11,-33.12,;5.11,-31.58,;3.78,-30.82,;6.45,-30.82,;3.78,-38.51,;3.78,-40.05,;5.11,-37.73,;6.44,-38.51,;6.44,-40.05,;7.77,-40.82,;9.18,-40.2,;10.21,-41.34,;9.43,-42.67,;9.91,-44.14,;8.88,-45.29,;7.37,-44.97,;6.9,-43.5,;7.93,-42.35,;7.77,-37.74,;9.1,-38.51,;7.77,-36.2,)|
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/a 200n/an/an/an/an/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 4


(Mus musculus)
BDBM50034922
PNG
((S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-y...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,25.26,wD:36.37,(-8.22,-36.2,;-8.22,-37.74,;-9.55,-38.51,;-6.89,-38.5,;-5.56,-37.74,;-5.56,-36.2,;-4.23,-35.43,;-2.82,-36.06,;-1.79,-34.91,;-2.55,-33.58,;-4.06,-33.9,;-4.22,-38.5,;-4.22,-40.05,;-2.89,-37.73,;-1.56,-38.5,;-1.56,-40.04,;-.23,-40.81,;1.1,-40.05,;2.44,-40.82,;2.44,-42.35,;1.1,-43.12,;-.23,-42.35,;-.22,-37.73,;-.22,-36.19,;1.11,-38.5,;2.45,-37.74,;2.45,-36.2,;3.78,-35.43,;3.78,-33.89,;5.11,-33.12,;5.11,-31.58,;3.78,-30.82,;6.45,-30.82,;3.78,-38.51,;3.78,-40.05,;5.11,-37.73,;6.44,-38.51,;6.44,-40.05,;7.77,-40.82,;9.18,-40.2,;10.21,-41.34,;9.43,-42.67,;9.91,-44.14,;8.88,-45.29,;7.37,-44.97,;6.9,-43.5,;7.93,-42.35,;7.77,-37.74,;9.1,-38.51,;7.77,-36.2,)|
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.01n/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Antagonist activity at mouse MC4R 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