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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50253696'   
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))
BDBM50253696
PNG
((S)-2-((S)-4-((R)-2-Amino-3-(4-fluorophenyl)propan...)
Show SMILES CC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C29H33FN4O3/c1-3-25-29(37)34(15-14-33(25)28(36)24(31)17-19-9-12-23(30)13-10-19)26(27(35)32-2)18-20-8-11-21-6-4-5-7-22(21)16-20/h4-13,16,24-26H,3,14-15,17-18,31H2,1-2H3,(H,32,35)/t24-,25+,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
180n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells


J Med Chem 51: 6055-66 (2008)


Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50253696
PNG
((S)-2-((S)-4-((R)-2-Amino-3-(4-fluorophenyl)propan...)
Show SMILES CC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C29H33FN4O3/c1-3-25-29(37)34(15-14-33(25)28(36)24(31)17-19-9-12-23(30)13-10-19)26(27(35)32-2)18-20-8-11-21-6-4-5-7-22(21)16-20/h4-13,16,24-26H,3,14-15,17-18,31H2,1-2H3,(H,32,35)/t24-,25+,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 31n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells


J Med Chem 51: 6055-66 (2008)


Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC
More data for this
Ligand-Target Pair