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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50138301'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50138301
PNG
(4-[(S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phen...)
Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)Cc1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C36H50ClN5O5/c1-7-42(27(3)43)26(2)31-10-8-9-11-32(31)38-16-20-40(21-17-38)34(45)29(24-28-12-14-30(37)15-13-28)25-33(44)39-18-22-41(23-19-39)35(46)47-36(4,5)6/h8-15,26,29H,7,16-25H2,1-6H3/t26?,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s...


J Med Chem 59: 810-40 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00982
BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50138301
PNG
(4-[(S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phen...)
Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)Cc1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C36H50ClN5O5/c1-7-42(27(3)43)26(2)31-10-8-9-11-32(31)38-16-20-40(21-17-38)34(45)29(24-28-12-14-30(37)15-13-28)25-33(44)39-18-22-41(23-19-39)35(46)47-36(4,5)6/h8-15,26,29H,7,16-25H2,1-6H3/t26?,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)


BindingDB Entry DOI: 10.7270/Q2902363
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50138301
PNG
(4-[(S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phen...)
Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)Cc1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C36H50ClN5O5/c1-7-42(27(3)43)26(2)31-10-8-9-11-32(31)38-16-20-40(21-17-38)34(45)29(24-28-12-14-30(37)15-13-28)25-33(44)39-18-22-41(23-19-39)35(46)47-36(4,5)6/h8-15,26,29H,7,16-25H2,1-6H3/t26?,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Intracellular level of cAMP in cells expressing the melanocortin 4 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)


BindingDB Entry DOI: 10.7270/Q2902363
More data for this
Ligand-Target Pair