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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 = 'BDBM50317645'   
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))		BDBM50317645
PNG
(4-(2-(2-Carboxy-ethyl)-3-{6-[3'-fluoro-5-(1H-indol...)
Show SMILES OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccc3[nH]ccc3c2)-c2cccc(F)c2)c1CCC(O)=O
Show InChI InChI=1S/C39H40FNO6/c40-33-11-5-10-28(24-33)31-23-32(29-14-16-36-30(22-29)18-19-41-36)26-34(25-31)46-20-4-2-1-3-8-27-9-6-12-37(35(27)15-17-39(44)45)47-21-7-13-38(42)43/h5-6,9-12,14,16,18-19,22-26,41H,1-4,7-8,13,15,17,20-21H2,(H,42,43)(H,44,45)
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Article
PubMed
n/an/a 14.0n/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