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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 = 'BDBM50164775'   
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))
BDBM50164775
PNG
((2S,5S)-5-tert-Butyl-piperazine-2-carboxylic acid ...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@H](CN1)C(C)(C)C)C1CCCCC1
Show InChI InChI=1S/C34H54FN5O3/c1-32(2,3)28-22-36-27(21-37-28)29(41)38-26(20-23-12-14-25(35)15-13-23)30(42)40-18-16-34(17-19-40,24-10-8-7-9-11-24)31(43)39-33(4,5)6/h12-15,24,26-28,36-37H,7-11,16-22H2,1-6H3,(H,38,41)(H,39,43)/t26-,27+,28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM


Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50164775
PNG
((2S,5S)-5-tert-Butyl-piperazine-2-carboxylic acid ...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN[C@H](CN1)C(C)(C)C)C1CCCCC1
Show InChI InChI=1S/C34H54FN5O3/c1-32(2,3)28-22-36-27(21-37-28)29(41)38-26(20-23-12-14-25(35)15-13-23)30(42)40-18-16-34(17-19-40,24-10-8-7-9-11-24)31(43)39-33(4,5)6/h12-15,24,26-28,36-37H,7-11,16-22H2,1-6H3,(H,38,41)(H,39,43)/t26-,27+,28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 4 receptor


Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair