BindingDB logo
myBDB logout

null

SMILES: Cc1c(-c2ccnc3c(cccc23)S(C)(=O)=O)c2cc(C)ccc2n1CC(O)=O

InChI Key: InChIKey=CUBGOGRTKCMGGK-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50188310   
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
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50188310
PNG
(2-(2,5-dimethyl-3-(8-(methylsulfonyl)quinolin-4-yl...)
Show SMILES Cc1c(-c2ccnc3c(cccc23)S(C)(=O)=O)c2cc(C)ccc2n1CC(O)=O |(13.57,-17.56,;12.03,-17.57,;11.12,-18.83,;11.61,-20.29,;13.11,-20.59,;13.6,-22.05,;12.57,-23.21,;11.06,-22.89,;10.05,-24.03,;8.56,-23.73,;8.07,-22.27,;9.09,-21.13,;10.58,-21.44,;10.54,-25.49,;11.04,-26.95,;11.87,-24.71,;9.2,-26.25,;9.64,-18.36,;8.31,-19.12,;6.97,-18.35,;5.64,-19.12,;6.97,-16.81,;8.3,-16.04,;9.64,-16.8,;11.12,-16.32,;11.59,-14.85,;13.09,-14.53,;14.13,-15.66,;13.57,-13.06,)|
Show InChI InChI=1S/C22H20N2O4S/c1-13-7-8-18-17(11-13)21(14(2)24(18)12-20(25)26)15-9-10-23-22-16(15)5-4-6-19(22)29(3,27)28/h4-11H,12H2,1-3H3,(H,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 expressed in HEK293 cells

Bioorg Med Chem Lett 16: 4287-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.062
BindingDB Entry DOI: 10.7270/Q2G44PX7
More data for this
Ligand-Target Pair