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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM50384420'   
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
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50384420
PNG
(CHEMBL2031482)
Show SMILES Cc1nc(c(s1)C(=O)N1CCCCC1CNC(=O)c1cccc2cccnc12)-c1ccccc1
Show InChI InChI=1S/C27H26N4O2S/c1-18-30-24(20-9-3-2-4-10-20)25(34-18)27(33)31-16-6-5-13-21(31)17-29-26(32)22-14-7-11-19-12-8-15-28-23(19)22/h2-4,7-12,14-15,21H,5-6,13,16-17H2,1H3,(H,29,32)
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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...

Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair