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BDBM50319494 CHEMBL1085069::rac-{3-[2-(3,5-Dimethyl-isoxazol-4-ylmethyl)-3-methyl-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-benzo[d]isothiazol-3-yl]-2-methyl-indol-1-yl}-acetic acid

SMILES: Cc1noc(C)c1CN1C(C)(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12

InChI Key: InChIKey=DQZCAYNERUBNFX-UHFFFAOYSA-N

Data: 1 KI

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

Found 1 hit for monomerid = 50319494   
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319494
PNG
(CHEMBL1085069 | rac-{3-[2-(3,5-Dimethyl-isoxazol-4...)
Show SMILES Cc1noc(C)c1CN1C(C)(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C25H25N3O5S/c1-15-19(17(3)33-26-15)13-28-25(4,20-10-6-8-12-22(20)34(28,31)32)24-16(2)27(14-23(29)30)21-11-7-5-9-18(21)24/h5-12H,13-14H2,1-4H3,(H,29,30)
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Article
PubMed
38n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair