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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 = 'BDBM50310316'   
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)		BDBM50310316
PNG
(2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...)
Show SMILES NC(=O)CN1CCNC(=O)CCCC(=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:38.40,wD:49.51,(10.15,-18.94,;8.82,-19.71,;8.82,-21.25,;7.48,-18.95,;6.15,-19.72,;4.82,-18.95,;4.81,-17.41,;3.43,-15.05,;2.09,-14.29,;2.08,-12.75,;.77,-15.07,;-.57,-14.31,;-1.9,-15.08,;-1.89,-16.62,;-.55,-17.39,;-3.22,-17.4,;-4.56,-16.64,;-4.57,-15.1,;-3.23,-14.33,;-3.24,-12.79,;-4.58,-12.03,;-5.92,-12.82,;-5.9,-14.35,;-3.21,-18.94,;-4.54,-19.72,;-5.88,-18.96,;-4.53,-21.26,;-5.86,-22.04,;-7.19,-21.27,;-7.19,-19.73,;-8.53,-18.97,;-9.86,-19.74,;-9.85,-21.29,;-8.52,-22.05,;-3.18,-22.04,;-1.85,-21.27,;-1.85,-19.73,;-.52,-22.04,;.82,-21.27,;.82,-22.81,;-.51,-23.58,;-.51,-25.12,;-1.84,-25.89,;-1.84,-27.43,;-3.18,-28.2,;-.51,-28.2,;2.15,-22.04,;2.15,-23.58,;3.49,-21.27,;4.82,-22.04,;4.82,-23.58,;6.16,-24.35,;7.39,-23.42,;8.65,-24.3,;8.21,-25.77,;9,-27.08,;8.26,-28.42,;6.72,-28.46,;5.93,-27.14,;6.67,-25.8,;6.16,-21.26,;7.5,-22.02,)|
Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-53-22-21-48-38(57)18-9-19-40(59)55(26-31-13-5-2-6-14-31)29-41(60)54(25-30-11-3-1-4-12-30)28-39(58)51-35(17-10-20-49-44(46)47)42(61)52-36(43(53)62)23-32-24-50-34-16-8-7-15-33(32)34/h1-8,11-16,24,35-36,50H,9-10,17-23,25-29H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H4,46,47,49)/t35-,36-/m0/s1
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KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 2.25E+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