BindingDB logo
myBDB logout

BDBM50363929 CHEMBL1951556

SMILES: CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1

InChI Key: InChIKey=IWYDXTFMQZKWDQ-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50363929   
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))
BDBM50363929
PNG
(CHEMBL1951556)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-10-22(37-23-9-5-16(13-25(31)32)12-24(23)36-2)21(14-17)30-38(34,35)18-7-8-19(27)20(28)15-18/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/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
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363929
PNG
(CHEMBL1951556)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-10-22(37-23-9-5-16(13-25(31)32)12-24(23)36-2)21(14-17)30-38(34,35)18-7-8-19(27)20(28)15-18/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363929
PNG
(CHEMBL1951556)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-10-22(37-23-9-5-16(13-25(31)32)12-24(23)36-2)21(14-17)30-38(34,35)18-7-8-19(27)20(28)15-18/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/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
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363929
PNG
(CHEMBL1951556)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-10-22(37-23-9-5-16(13-25(31)32)12-24(23)36-2)21(14-17)30-38(34,35)18-7-8-19(27)20(28)15-18/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/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 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