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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 = 'BDBM50348584'   
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))
BDBM50348584
PNG
(CHEMBL1801214)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C37H46ClF4N3O2/c1-22-15-25-28(17-30(22)38)36(18-29(25)35(5,6)33(47)44-14-11-37(41,42)21-44)9-12-43(13-10-36)32(46)27-20-45(34(2,3)4)19-26(27)24-8-7-23(39)16-31(24)40/h7-8,15-17,26-27,29H,9-14,18-21H2,1-6H3/t26-,27+,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting


Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50348584
PNG
(CHEMBL1801214)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C37H46ClF4N3O2/c1-22-15-25-28(17-30(22)38)36(18-29(25)35(5,6)33(47)44-14-11-37(41,42)21-44)9-12-43(13-10-36)32(46)27-20-45(34(2,3)4)19-26(27)24-8-7-23(39)16-31(24)40/h7-8,15-17,26-27,29H,9-14,18-21H2,1-6H3/t26-,27+,29-/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 MC4R expressed in CHO cells assessed as increase of alpha-MSH-stimulated cAMP release pretreated for 10 mins before alpha-M...


Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair