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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 = 'BDBM50220697'   
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))
BDBM50220697
PNG
((R)-N-((S)-1-(4-(tert-butylcarbamoyl)-4-(cyclohex-...)
Show SMILES CN1CCN[C@H](C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCC=C1)C(=O)NC(C)(C)C |w:27.29,c:34|
Show InChI InChI=1S/C31H46FN5O3/c1-30(2,3)35-29(40)31(23-8-6-5-7-9-23)14-17-37(18-15-31)28(39)25(20-22-10-12-24(32)13-11-22)34-27(38)26-21-36(4)19-16-33-26/h6,8,10-13,23,25-26,33H,5,7,9,14-21H2,1-4H3,(H,34,38)(H,35,40)/t23?,25-,26+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 17: 5720-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.084
BindingDB Entry DOI: 10.7270/Q2708141
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50220697
PNG
((R)-N-((S)-1-(4-(tert-butylcarbamoyl)-4-(cyclohex-...)
Show SMILES CN1CCN[C@H](C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCC=C1)C(=O)NC(C)(C)C |w:27.29,c:34|
Show InChI InChI=1S/C31H46FN5O3/c1-30(2,3)35-29(40)31(23-8-6-5-7-9-23)14-17-37(18-15-31)28(39)25(20-22-10-12-24(32)13-11-22)34-27(38)26-21-36(4)19-16-33-26/h6,8,10-13,23,25-26,33H,5,7,9,14-21H2,1-4H3,(H,34,38)(H,35,40)/t23?,25-,26+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 85n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human MC4R assessed as stimulation of cAMP production


Bioorg Med Chem Lett 17: 5720-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.084
BindingDB Entry DOI: 10.7270/Q2708141
More data for this
Ligand-Target Pair