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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 = 'BDBM50217744'   
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


(Homo sapiens (Human))		BDBM50217744
PNG
(CHEMBL394394 | N-(2-fluorobenzyl)-4-(2-(4-hydroxyb...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccccc2F)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(17.94,-27.12,;16.6,-27.88,;16.58,-29.43,;15.25,-30.18,;13.92,-29.4,;12.58,-30.16,;12.58,-31.7,;13.92,-32.49,;13.92,-34.03,;12.57,-34.81,;11.22,-34.04,;11.23,-32.48,;12.57,-36.36,;11.24,-37.13,;9.9,-36.36,;9.91,-34.82,;8.58,-34.05,;7.24,-34.82,;7.25,-36.37,;8.58,-37.13,;8.58,-38.67,;13.91,-37.14,;13.91,-38.7,;15.25,-36.36,;16.59,-37.13,;17.92,-36.36,;19.26,-37.12,;19.84,-35.7,;19.02,-34.39,;19.75,-33.03,;21.29,-32.99,;22.01,-31.63,;21.19,-30.32,;21.91,-28.96,;19.65,-30.38,;18.93,-31.74,;21.37,-35.8,;21.75,-37.3,;23.09,-38.02,;23.14,-39.55,;21.84,-40.37,;20.48,-39.64,;20.44,-38.11,;13.92,-27.87,;15.27,-27.11,)|
Show InChI InChI=1S/C39H48FN3O2/c40-36-9-3-1-6-30(36)26-43(32-20-14-28(15-21-32)24-27-12-18-31(41)19-13-27)39(45)11-5-8-35-34-7-2-4-10-37(34)42-38(35)25-29-16-22-33(44)23-17-29/h1-4,6-7,9-10,16-17,22-23,27-28,31-32,42,44H,5,8,11-15,18-21,24-26,41H2
PDB

KEGG

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PC cid
PC sid
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Similars
Article
PubMed
 1.50E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC4 receptor expressed in Sf9 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