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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 = 'BDBM50253734'   
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))
BDBM50253734
PNG
(CHEMBL507876 | N-((1R)-1-[(4-Fluorophenyl)methyl]-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)C |r|
Show InChI InChI=1S/C35H43FN4O4/c1-6-9-29-33(43)40(30(31(41)37-5)22-24-12-15-25-10-7-8-11-26(25)20-24)19-18-39(29)32(42)28(38-34(44)35(2,3)4)21-23-13-16-27(36)17-14-23/h7-8,10-17,20,28-30H,6,9,18-19,21-22H2,1-5H3,(H,37,41)(H,38,44)/t28-,29+,30+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19n/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))
BDBM50253734
PNG
(CHEMBL507876 | N-((1R)-1-[(4-Fluorophenyl)methyl]-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)C |r|
Show InChI InChI=1S/C35H43FN4O4/c1-6-9-29-33(43)40(30(31(41)37-5)22-24-12-15-25-10-7-8-11-26(25)20-24)19-18-39(29)32(42)28(38-34(44)35(2,3)4)21-23-13-16-27(36)17-14-23/h7-8,10-17,20,28-30H,6,9,18-19,21-22H2,1-5H3,(H,37,41)(H,38,44)/t28-,29+,30+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assay


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