BindingDB logo
myBDB logout

null

SMILES: CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2C#N)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1

InChI Key: InChIKey=STADHDDPEVIIQA-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 3 hits for monomerid = 50363916   
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))
BDBM50363916
PNG
(CHEMBL1951565)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2C#N)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H23Cl2N3O6S/c1-2-3-10-30-26(34)17-5-8-23(37-22-7-4-16(12-25(32)33)11-18(22)15-29)21(13-17)31-38(35,36)24-9-6-19(27)14-20(24)28/h4-9,11,13-14,31H,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

Similars

Article
PubMed
n/an/a 210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 50% human plasma


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50363916
PNG
(CHEMBL1951565)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2C#N)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H23Cl2N3O6S/c1-2-3-10-30-26(34)17-5-8-23(37-22-7-4-16(12-25(32)33)11-18(22)15-29)21(13-17)31-38(35,36)24-9-6-19(27)14-20(24)28/h4-9,11,13-14,31H,2-3,10,12H2,1H3,(H,30,34)(H,32,33)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50363916
PNG
(CHEMBL1951565)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2C#N)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H23Cl2N3O6S/c1-2-3-10-30-26(34)17-5-8-23(37-22-7-4-16(12-25(32)33)11-18(22)15-29)21(13-17)31-38(35,36)24-9-6-19(27)14-20(24)28/h4-9,11,13-14,31H,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

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair