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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50310319'   
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


(Mus musculus)		BDBM50310319
PNG
(2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...)
Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:37.39,wD:48.50,(37.65,-41.43,;36.31,-42.2,;36.32,-43.74,;34.98,-41.43,;33.66,-42.2,;32.32,-41.43,;32.31,-39.89,;28.27,-39.09,;28.26,-37.55,;29.59,-36.77,;26.92,-36.78,;25.59,-37.57,;25.6,-39.11,;26.94,-39.86,;24.27,-39.88,;22.94,-39.13,;22.93,-37.59,;24.26,-36.81,;24.25,-35.27,;22.91,-34.5,;21.58,-35.3,;21.59,-36.83,;24.28,-41.43,;22.95,-42.21,;21.62,-41.44,;22.96,-43.75,;21.64,-44.52,;20.3,-43.75,;20.3,-42.22,;18.96,-41.44,;17.63,-42.22,;17.64,-43.77,;18.97,-44.53,;24.31,-44.53,;25.65,-43.76,;25.65,-42.22,;26.98,-44.53,;28.32,-43.76,;28.32,-45.3,;26.99,-46.07,;26.99,-47.61,;25.65,-48.38,;25.65,-49.92,;24.31,-50.69,;26.99,-50.69,;29.65,-44.53,;29.65,-46.07,;30.98,-43.76,;32.32,-44.53,;32.32,-46.07,;33.66,-46.83,;34.89,-45.9,;36.16,-46.79,;35.71,-48.26,;36.5,-49.57,;35.76,-50.91,;34.22,-50.94,;33.42,-49.63,;34.17,-48.28,;33.66,-43.74,;34.99,-44.51,)|
Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-52-21-20-47-37(56)17-18-39(58)54(25-30-12-5-2-6-13-30)28-40(59)53(24-29-10-3-1-4-11-29)27-38(57)50-34(16-9-19-48-43(45)46)41(60)51-35(42(52)61)22-31-23-49-33-15-8-7-14-32(31)33/h1-8,10-15,23,34-35,49H,9,16-22,24-28H2,(H2,44,55)(H,47,56)(H,50,57)(H,51,60)(H4,45,46,48)/t34-,35-/m0/s1
PDB

KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.96E+3n/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay

Bioorg Med Chem 18: 580-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3
More data for this
Ligand-Target Pair