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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM277677'   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM277677
PNG
(2-(2-(2-(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy)-3...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OCCOCCOCC(O)=O)c1
Show InChI InChI=1S/C41H47N5O11S/c1-41(2,3)26-19-34(39(53-5)35(20-26)46-58(6,50)51)45-40(49)44-33-11-12-36(32-10-8-7-9-31(32)33)57-28-13-14-42-37(24-28)43-27-21-29(52-4)23-30(22-27)56-18-17-54-15-16-55-25-38(47)48/h7-14,19-24,46H,15-18,25H2,1-6H3,(H,42,43)(H,47,48)(H2,44,45,49)
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US Patent
n/an/a 23n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen) are evaluated indirectly by determining the level...

US Patent US10072034 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B49
More data for this
Ligand-Target Pair