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BDBM50363921 CHEMBL1951568

SMILES: OC(=O)Cc1ccc(Oc2ccc(cc2NS(=O)(=O)c2ccc(Cl)cc2Cl)C(=O)NC2CCC2)c(Cl)c1

InChI Key: InChIKey=YGOCLTXYZSTXHU-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 = 50363921   
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))
BDBM50363921
PNG
(CHEMBL1951568)
Show SMILES OC(=O)Cc1ccc(Oc2ccc(cc2NS(=O)(=O)c2ccc(Cl)cc2Cl)C(=O)NC2CCC2)c(Cl)c1
Show InChI InChI=1S/C25H21Cl3N2O6S/c26-16-6-9-23(19(28)13-16)37(34,35)30-20-12-15(25(33)29-17-2-1-3-17)5-8-22(20)36-21-7-4-14(10-18(21)27)11-24(31)32/h4-10,12-13,17,30H,1-3,11H2,(H,29,33)(H,31,32)
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PC cid
PC sid
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Article
PubMed
n/an/a 19n/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))
BDBM50363921
PNG
(CHEMBL1951568)
Show SMILES OC(=O)Cc1ccc(Oc2ccc(cc2NS(=O)(=O)c2ccc(Cl)cc2Cl)C(=O)NC2CCC2)c(Cl)c1
Show InChI InChI=1S/C25H21Cl3N2O6S/c26-16-6-9-23(19(28)13-16)37(34,35)30-20-12-15(25(33)29-17-2-1-3-17)5-8-22(20)36-21-7-4-14(10-18(21)27)11-24(31)32/h4-10,12-13,17,30H,1-3,11H2,(H,29,33)(H,31,32)
UniProtKB/SwissProt

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 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
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363921
PNG
(CHEMBL1951568)
Show SMILES OC(=O)Cc1ccc(Oc2ccc(cc2NS(=O)(=O)c2ccc(Cl)cc2Cl)C(=O)NC2CCC2)c(Cl)c1
Show InChI InChI=1S/C25H21Cl3N2O6S/c26-16-6-9-23(19(28)13-16)37(34,35)30-20-12-15(25(33)29-17-2-1-3-17)5-8-22(20)36-21-7-4-14(10-18(21)27)11-24(31)32/h4-10,12-13,17,30H,1-3,11H2,(H,29,33)(H,31,32)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/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))
BDBM50363921
PNG
(CHEMBL1951568)
Show SMILES OC(=O)Cc1ccc(Oc2ccc(cc2NS(=O)(=O)c2ccc(Cl)cc2Cl)C(=O)NC2CCC2)c(Cl)c1
Show InChI InChI=1S/C25H21Cl3N2O6S/c26-16-6-9-23(19(28)13-16)37(34,35)30-20-12-15(25(33)29-17-2-1-3-17)5-8-22(20)36-21-7-4-14(10-18(21)27)11-24(31)32/h4-10,12-13,17,30H,1-3,11H2,(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