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BDBM50304899 (S)-3-(5-((1-acetylindolin-2-yl)methoxy)-3-(tert-butylthio)-1-(4-(2-methoxythiazol-4-yl)benzyl)-1H-indol-2-yl)-2,2-dimethylpropanoic acid::CHEMBL610472

SMILES: COc1nc(cs1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OC[C@@H]4Cc5ccccc5N4C(C)=O)ccc23)cc1

InChI Key: InChIKey=DKNZCCXWLGRSDV-NDEPHWFRSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50304899   
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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50304899
PNG
((S)-3-(5-((1-acetylindolin-2-yl)methoxy)-3-(tert-b...)
Show SMILES COc1nc(cs1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OC[C@@H]4Cc5ccccc5N4C(C)=O)ccc23)cc1
Show InChI InChI=1S/C39H43N3O5S2/c1-24(43)42-28(18-27-10-8-9-11-32(27)42)22-47-29-16-17-33-30(19-29)35(49-38(2,3)4)34(20-39(5,6)36(44)45)41(33)21-25-12-14-26(15-13-25)31-23-48-37(40-31)46-7/h8-17,19,23,28H,18,20-22H2,1-7H3,(H,44,45)/t28-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to FLAP in human PMN derived membrane


Bioorg Med Chem Lett 20: 213-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.131
BindingDB Entry DOI: 10.7270/Q2MW2H78
More data for this
Ligand-Target Pair