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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50217731'   
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
Melanocyte-stimulating hormone receptor


(Mus musculus)		BDBM50217731
PNG
(CHEMBL396111 | N-(2-chloro-4,5-dimethoxybenzyl)-4-...)
Show SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC |(7.75,-.95,;7.77,-2.49,;9.12,-3.24,;9.14,-4.78,;10.49,-5.53,;10.51,-7.07,;11.8,-4.74,;13.15,-5.49,;14.47,-4.69,;14.45,-3.14,;15.79,-2.35,;15.77,-.8,;14.41,-.03,;14.4,1.51,;15.72,2.29,;17.06,1.52,;18.39,2.3,;18.37,3.85,;19.7,4.62,;17.03,4.6,;15.7,3.82,;13.08,-.83,;13.09,-2.39,;15.83,-5.45,;15.85,-7.01,;17.16,-4.66,;18.49,-5.39,;19.83,-4.62,;21.15,-5.38,;22.57,-4.71,;23.33,-3.37,;24.87,-3.36,;25.64,-4.69,;27.18,-4.68,;27.94,-3.34,;29.48,-3.32,;27.15,-2,;25.62,-2.02,;23.62,-5.84,;22.87,-7.18,;23.36,-8.63,;22.36,-9.79,;20.84,-9.49,;20.35,-8.04,;21.36,-6.88,;11.78,-3.2,;10.44,-2.45,;10.42,-.91,;11.74,-.12,)|
Show InChI InChI=1S/C41H52ClN3O4/c1-48-39-24-30(36(42)25-40(39)49-2)26-45(32-18-12-28(13-19-32)22-27-10-16-31(43)17-11-27)41(47)9-5-7-35-34-6-3-4-8-37(34)44-38(35)23-29-14-20-33(46)21-15-29/h3-4,6,8,14-15,20-21,24-25,27-28,31-32,44,46H,5,7,9-13,16-19,22-23,26,43H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 630n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells

Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair