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BDBM50319487 CHEMBL1084894::rac-{2-Methyl-3-[2-(3-methyl-5-phenyl-isoxazol-4-ylmethyl)-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-benzo[d]isothiazol-3-yl]-indol-1-yl}-acetic acid

SMILES: Cc1noc(c1CN1C(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12)-c1ccccc1

InChI Key: InChIKey=JZCAUMQZTKBKSA-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50319487   
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))
BDBM50319487
PNG
(CHEMBL1084894 | rac-{2-Methyl-3-[2-(3-methyl-5-phe...)
Show SMILES Cc1noc(c1CN1C(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C29H25N3O5S/c1-18-23(29(37-30-18)20-10-4-3-5-11-20)16-32-28(22-13-7-9-15-25(22)38(32,35)36)27-19(2)31(17-26(33)34)24-14-8-6-12-21(24)27/h3-15,28H,16-17H2,1-2H3,(H,33,34)
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PC cid
PC sid
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Article
PubMed
13n/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