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BDBM50214704 1-{4-[(1S)-2-(amino-3-methylbutyl)-4-fluorophenyl]-4-[(2R)-(3-aminopropionylamido)-3-(2,4-dichlorophenyl)-propionyl]}-piperazine::CHEMBL393716

SMILES: CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN)C(F)(F)F

InChI Key: InChIKey=GMAMPDPQMILWCI-BJKOFHAPSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50214704   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214704
PNG
(1-{4-[(1S)-2-(amino-3-methylbutyl)-4-fluorophenyl]...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN)C(F)(F)F
Show InChI InChI=1S/C28H36Cl2F3N5O2/c1-17(2)13-23(35)21-15-19(28(31,32)33)4-6-25(21)37-9-11-38(12-10-37)27(40)24(36-26(39)7-8-34)14-18-3-5-20(29)16-22(18)30/h3-6,15-17,23-24H,7-14,34-35H2,1-2H3,(H,36,39)/t23-,24+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


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


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair