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SMILES: COc1ccc(CCCCOc2ccc(CSCc3cccc(c3)C(O)=O)nc2CCC(O)=O)cc1

InChI Key: InChIKey=MKLUISASNGYFMO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037379   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50037379
PNG
(3-{6-(2-Carboxy-ethyl)-5-[4-(4-methoxy-phenyl)-but...)
Show SMILES COc1ccc(CCCCOc2ccc(CSCc3cccc(c3)C(O)=O)nc2CCC(O)=O)cc1
Show InChI InChI=1S/C28H31NO6S/c1-34-24-11-8-20(9-12-24)5-2-3-16-35-26-14-10-23(29-25(26)13-15-27(30)31)19-36-18-21-6-4-7-22(17-21)28(32)33/h4,6-12,14,17H,2-3,5,13,15-16,18-19H2,1H3,(H,30,31)(H,32,33)
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PubMed
 28n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4.

J Med Chem 37: 3327-36 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2NC3
More data for this
Ligand-Target Pair