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SMILES: CCCCNC(=O)c1ccc(Oc2ccc3c(CC(O)=O)coc3c2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1

InChI Key: InChIKey=XVXNUJYPJKAXJS-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 2 hits for monomerid = 50364527   
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


(Homo sapiens (Human))
BDBM50364527
PNG
(CHEMBL1950870)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc3c(CC(O)=O)coc3c2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H24Cl2N2O7S/c1-2-3-10-30-27(34)16-4-8-23(22(11-16)31-39(35,36)25-9-5-18(28)13-21(25)29)38-19-6-7-20-17(12-26(32)33)15-37-24(20)14-19/h4-9,11,13-15,31H,2-3,10,12H2,1H3,(H,30,34)(H,32,33)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50364527
PNG
(CHEMBL1950870)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc3c(CC(O)=O)coc3c2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H24Cl2N2O7S/c1-2-3-10-30-27(34)16-4-8-23(22(11-16)31-39(35,36)25-9-5-18(28)13-21(25)29)38-19-6-7-20-17(12-26(32)33)15-37-24(20)14-19/h4-9,11,13-15,31H,2-3,10,12H2,1H3,(H,30,34)(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair