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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 = 'BDBM50323450'   
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))
BDBM50323450
PNG
(2-((S)-5-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...)
Show SMILES CC(C)(C#N)[C@H]1OC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C2CCOCC2)c2cc(F)c(Cl)cc12 |r|
Show InChI InChI=1S/C32H35ClF3N3O3/c1-31(2,18-37)29-22-14-26(33)28(36)15-25(22)32(42-29)7-9-38(10-8-32)30(40)24-17-39(20-5-11-41-12-6-20)16-23(24)21-4-3-19(34)13-27(21)35/h3-4,13-15,20,23-24,29H,5-12,16-17H2,1-2H3/t23-,24+,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.30n/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))
BDBM50323450
PNG
(2-((S)-5-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...)
Show SMILES CC(C)(C#N)[C@H]1OC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C2CCOCC2)c2cc(F)c(Cl)cc12 |r|
Show InChI InChI=1S/C32H35ClF3N3O3/c1-31(2,18-37)29-22-14-26(33)28(36)15-25(22)32(42-29)7-9-38(10-8-32)30(40)24-17-39(20-5-11-41-12-6-20)16-23(24)21-4-3-19(34)13-27(21)35/h3-4,13-15,20,23-24,29H,5-12,16-17H2,1-2H3/t23-,24+,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 17n/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