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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 = 'BDBM50323454'   
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))
BDBM50323454
PNG
((S)-(6-chloro-5-methyl-3-(2-(methylamino)propan-2-...)
Show SMILES CNC(C)(C)[C@H]1OC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C2CCOCC2)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C33H42ClF2N3O3/c1-20-15-24-27(17-28(20)34)33(42-30(24)32(2,3)37-4)9-11-38(12-10-33)31(40)26-19-39(22-7-13-41-14-8-22)18-25(26)23-6-5-21(35)16-29(23)36/h5-6,15-17,22,25-26,30,37H,7-14,18-19H2,1-4H3/t25-,26+,30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4895-900 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.068
BindingDB Entry DOI: 10.7270/Q2TB172P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50323454
PNG
((S)-(6-chloro-5-methyl-3-(2-(methylamino)propan-2-...)
Show SMILES CNC(C)(C)[C@H]1OC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C2CCOCC2)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C33H42ClF2N3O3/c1-20-15-24-27(17-28(20)34)33(42-30(24)32(2,3)37-4)9-11-38(12-10-33)31(40)26-19-39(22-7-13-41-14-8-22)18-25(26)23-6-5-21(35)16-29(23)36/h5-6,15-17,22,25-26,30,37H,7-14,18-19H2,1-4H3/t25-,26+,30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human melanocortin 4 receptor expressed in CHO cells assessed as cAMP release


Bioorg Med Chem Lett 20: 4895-900 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.068
BindingDB Entry DOI: 10.7270/Q2TB172P
More data for this
Ligand-Target Pair