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SMILES: CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)nc2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1

InChI Key: InChIKey=RSCMJNRGRJPGKI-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 = 50364523   
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))
BDBM50364523
PNG
(CHEMBL1950866)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)nc2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C24H23Cl2N3O6S/c1-2-3-10-27-24(32)15-4-8-21(35-18-7-6-17(28-14-18)13-23(30)31)20(11-15)29-36(33,34)22-9-5-16(25)12-19(22)26/h4-9,11-12,14,29H,2-3,10,13H2,1H3,(H,27,32)(H,30,31)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/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))
BDBM50364523
PNG
(CHEMBL1950866)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)nc2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C24H23Cl2N3O6S/c1-2-3-10-27-24(32)15-4-8-21(35-18-7-6-17(28-14-18)13-23(30)31)20(11-15)29-36(33,34)22-9-5-16(25)12-19(22)26/h4-9,11-12,14,29H,2-3,10,13H2,1H3,(H,27,32)(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/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