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SMILES: CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2cccc(Cl)c2Cl)c1

InChI Key: InChIKey=YYOSPYIXDNDOEH-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 4 hits for monomerid = 50363932   
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))
BDBM50363932
PNG
(CHEMBL1951559)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-12-29-26(33)17-9-11-20(37-21-10-8-16(14-24(31)32)13-22(21)36-2)19(15-17)30-38(34,35)23-7-5-6-18(27)25(23)28/h5-11,13,15,30H,3-4,12,14H2,1-2H3,(H,29,33)(H,31,32)
UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
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Article
PubMed
n/an/a 520n/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


(Homo sapiens (Human))
BDBM50363932
PNG
(CHEMBL1951559)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-12-29-26(33)17-9-11-20(37-21-10-8-16(14-24(31)32)13-22(21)36-2)19(15-17)30-38(34,35)23-7-5-6-18(27)25(23)28/h5-11,13,15,30H,3-4,12,14H2,1-2H3,(H,29,33)(H,31,32)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.34E+3n/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))
BDBM50363932
PNG
(CHEMBL1951559)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-12-29-26(33)17-9-11-20(37-21-10-8-16(14-24(31)32)13-22(21)36-2)19(15-17)30-38(34,35)23-7-5-6-18(27)25(23)28/h5-11,13,15,30H,3-4,12,14H2,1-2H3,(H,29,33)(H,31,32)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 300n/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 2


(Homo sapiens (Human))
BDBM50363932
PNG
(CHEMBL1951559)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-12-29-26(33)17-9-11-20(37-21-10-8-16(14-24(31)32)13-22(21)36-2)19(15-17)30-38(34,35)23-7-5-6-18(27)25(23)28/h5-11,13,15,30H,3-4,12,14H2,1-2H3,(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 32n/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