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BDBM50174864 CHEMBL200614::X2-Apc-DPhe-Arg-Trp-Z3-NH2

SMILES: CCCCNC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(N)=O

InChI Key: InChIKey=UPDMMLWSATZFGJ-GSNLUDRVSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50174864   
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))
BDBM50174864
PNG
(CHEMBL200614 | X2-Apc-DPhe-Arg-Trp-Z3-NH2)
Show SMILES CCCCNC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(N)=O |wU:34.36,11.14,23.24,59.64,8.7,wD:8.21,45.47,(-3.29,-37.32,;-1.95,-36.55,;-.63,-37.32,;.71,-36.55,;2.03,-37.32,;3.37,-36.54,;3.37,-35.01,;4.7,-37.32,;6.04,-36.54,;7.38,-35.78,;7.38,-34.25,;6.05,-33.47,;4.72,-34.24,;4.72,-35.78,;6.06,-31.94,;7.4,-31.18,;7.4,-29.65,;6.08,-28.87,;4.74,-29.64,;4.74,-31.18,;7.37,-37.32,;7.37,-38.86,;8.71,-36.54,;10.05,-37.32,;10.05,-38.86,;11.39,-39.63,;11.38,-41.18,;12.72,-41.94,;14.05,-41.18,;14.05,-39.63,;12.71,-38.86,;11.39,-36.54,;11.39,-35.01,;12.72,-37.32,;14.06,-36.54,;14.06,-35.01,;15.4,-34.23,;15.4,-32.68,;16.73,-31.92,;16.73,-30.37,;18.07,-29.59,;15.4,-29.59,;15.4,-37.32,;15.4,-38.86,;16.73,-36.54,;18.07,-37.32,;18.07,-38.86,;19.41,-39.63,;20.76,-38.85,;21.86,-40.14,;21.09,-41.48,;21.57,-42.95,;20.54,-44.09,;19.02,-43.77,;18.55,-42.3,;19.58,-41.16,;19.41,-36.54,;19.41,-35.01,;20.75,-37.32,;22.08,-36.54,;22.07,-35,;23.42,-37.3,;24.74,-36.53,;23.42,-38.84,)|
Show InChI InChI=1S/C47H63N11O6/c1-3-4-25-52-46(64)58-47(23-21-33(22-24-47)32-16-9-6-10-17-32)44(63)57-38(27-31-14-7-5-8-15-31)43(62)55-37(20-13-26-51-45(49)50)41(60)56-39(42(61)54-30(2)40(48)59)28-34-29-53-36-19-12-11-18-35(34)36/h5-12,14-19,29-30,33,37-39,53H,3-4,13,20-28H2,1-2H3,(H2,48,59)(H,54,61)(H,55,62)(H,56,60)(H,57,63)(H4,49,50,51)(H2,52,58,64)/t30-,33-,37-,38+,39-,47+/m0/s1
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Similars

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



Roche Research Center

Curated by ChEMBL


Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation


Bioorg Med Chem Lett 15: 5504-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7
More data for this
Ligand-Target Pair