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SMILES: CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(-c2c[nH]nn2)c1OC

InChI Key: InChIKey=ZQCFGHVVUMADNA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50033744   
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))		BDBM50033744
PNG
(7-{3-[3-Methoxy-2-propyl-4-(3H-[1,2,3]triazol-4-yl...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(-c2c[nH]nn2)c1OC
Show InChI InChI=1S/C28H35N3O6/c1-4-7-20-23(12-9-18-10-13-25(28(32)33)37-26(18)20)35-15-6-16-36-24-14-11-19(22-17-29-31-30-22)27(34-3)21(24)8-5-2/h9,11-12,14,17,25H,4-8,10,13,15-16H2,1-3H3,(H,32,33)(H,29,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.20n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Leukotriene B4 (LTB4) Receptor. Experiment conducted in the absence of NDGA.

J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair