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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukotriene B4 receptor 1' and Ligand = 'BDBM50317640'   
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
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50317640
PNG
(4-{2-(2-Carboxy-ethyl)-3-[6-(4,4''-dimethoxy-[1.1'...)
Show SMILES COc1ccc(cc1)-c1cc(OCCCCCCc2cccc(OCCCC(O)=O)c2CCC(O)=O)cc(c1)-c1ccc(OC)cc1
Show InChI InChI=1S/C39H44O8/c1-44-33-17-13-28(14-18-33)31-25-32(29-15-19-34(45-2)20-16-29)27-35(26-31)46-23-6-4-3-5-9-30-10-7-11-37(36(30)21-22-39(42)43)47-24-8-12-38(40)41/h7,10-11,13-20,25-27H,3-6,8-9,12,21-24H2,1-2H3,(H,40,41)(H,42,43)
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Article
PubMed
n/an/a 31.1n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at BLT1 receptor expressed in human HL60 cells assessed as inhibition of LTB4-stimulated calcium flux after 30 mins

J Med Chem 53: 3502-16 (2010)


Article DOI: 10.1021/jm1001919
BindingDB Entry DOI: 10.7270/Q2KW5G67
More data for this
Ligand-Target Pair