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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 = 'BDBM50080874'   
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))
BDBM50080874
PNG
(CHEMBL3421676)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H46N10O5/c1-23(51)46-33-20-28-27-13-6-8-15-30(27)47-34(28)22-50(39(33)55)35(18-24-10-3-2-4-11-24)38(54)48-31(16-9-17-44-40(42)43)37(53)49-32(36(41)52)19-25-21-45-29-14-7-5-12-26(25)29/h2-8,10-15,21,31-33,35,45,47H,9,16-20,22H2,1H3,(H2,41,52)(H,46,51)(H,48,54)(H,49,53)(H4,42,43,44)/t31-,32-,33-,35+/s2
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 447n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080874
PNG
(CHEMBL3421676)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H46N10O5/c1-23(51)46-33-20-28-27-13-6-8-15-30(27)47-34(28)22-50(39(33)55)35(18-24-10-3-2-4-11-24)38(54)48-31(16-9-17-44-40(42)43)37(53)49-32(36(41)52)19-25-21-45-29-14-7-5-12-26(25)29/h2-8,10-15,21,31-33,35,45,47H,9,16-20,22H2,1H3,(H2,41,52)(H,46,51)(H,48,54)(H,49,53)(H4,42,43,44)/t31-,32-,33-,35+/s2
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.300n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair