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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 = 'BDBM50218075'   
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))
BDBM50218075
PNG
(CHEMBL248435 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C35H49ClF3N5O2/c1-23(2)19-31(40-33(45)13-14-41(5)6)28-20-26(35(37,38)39)9-12-32(28)42-15-17-43(18-16-42)34(46)30-22-44(24(3)4)21-29(30)25-7-10-27(36)11-8-25/h7-12,20,23-24,29-31H,13-19,21-22H2,1-6H3,(H,40,45)/t29-,30+,31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50218075
PNG
(CHEMBL248435 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C35H49ClF3N5O2/c1-23(2)19-31(40-33(45)13-14-41(5)6)28-20-26(35(37,38)39)9-12-32(28)42-15-17-43(18-16-42)34(46)30-22-44(24(3)4)21-29(30)25-7-10-27(36)11-8-25/h7-12,20,23-24,29-31H,13-19,21-22H2,1-6H3,(H,40,45)/t29-,30+,31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 91n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation


Bioorg Med Chem Lett 17: 5165-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.088
BindingDB Entry DOI: 10.7270/Q20R9P37
More data for this
Ligand-Target Pair