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BDBM50039472 7-{3-[2-Ethyl-5-hydroxy-4-(1H-pyrazol-3-yl)-phenoxy]-propoxy}-8-propyl-chroman-2-carboxylic acid::CHEMBL81401

SMILES: CCCc1c(OCCCOc2cc(O)c(cc2CC)-c2cc[nH]n2)ccc2CCC(Oc12)C(O)=O

InChI Key: InChIKey=PIBAZYPPVCPIBO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50039472   
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
LTB4R


(HUMAN)
BDBM50039472
PNG
(7-{3-[2-Ethyl-5-hydroxy-4-(1H-pyrazol-3-yl)-phenox...)
Show SMILES CCCc1c(OCCCOc2cc(O)c(cc2CC)-c2cc[nH]n2)ccc2CCC(Oc12)C(O)=O
Show InChI InChI=1S/C27H32N2O6/c1-3-6-19-23(9-7-18-8-10-24(27(31)32)35-26(18)19)33-13-5-14-34-25-16-22(30)20(15-17(25)4-2)21-11-12-28-29-21/h7,9,11-12,15-16,24,30H,3-6,8,10,13-14H2,1-2H3,(H,28,29)(H,31,32)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Leukotriene B4 binding to human PMN


J Med Chem 37: 2411-20 (1994)


Article DOI: 10.1021/jm00041a021
BindingDB Entry DOI: 10.7270/Q29022TR
More data for this
Ligand-Target Pair