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BDBM50381823 CHEMBL2023649

SMILES: OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12

InChI Key: InChIKey=CSVJLKCBGGRRIQ-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50381823   
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))
BDBM50381823
PNG
(CHEMBL2023649)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
Show InChI InChI=1S/C25H16Cl2N2O4/c26-20-10-7-15(11-21(20)27)25(33)29-17-8-5-14(6-9-17)24(32)23-19-4-2-1-3-18(19)16(13-28-23)12-22(30)31/h1-11,13H,12H2,(H,29,33)(H,30,31)
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n/an/a 19n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis


Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50381823
PNG
(CHEMBL2023649)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
Show InChI InChI=1S/C25H16Cl2N2O4/c26-20-10-7-15(11-21(20)27)25(33)29-17-8-5-14(6-9-17)24(32)23-19-4-2-1-3-18(19)16(13-28-23)12-22(30)31/h1-11,13H,12H2,(H,29,33)(H,30,31)
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n/an/a 23n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human TH2 cells assessed as inhibition of PGD2-induced chemotaxis after 1 hr by hemocytometry


Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50381823
PNG
(CHEMBL2023649)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
Show InChI InChI=1S/C25H16Cl2N2O4/c26-20-10-7-15(11-21(20)27)25(33)29-17-8-5-14(6-9-17)24(32)23-19-4-2-1-3-18(19)16(13-28-23)12-22(30)31/h1-11,13H,12H2,(H,29,33)(H,30,31)
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n/an/a 13n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 transfected in human KB8 cells assessed as inhibition of PGD2-induced increase in intracellular Ca2+ by fluo-4AM d...


Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50381823
PNG
(CHEMBL2023649)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
Show InChI InChI=1S/C25H16Cl2N2O4/c26-20-10-7-15(11-21(20)27)25(33)29-17-8-5-14(6-9-17)24(32)23-19-4-2-1-3-18(19)16(13-28-23)12-22(30)31/h1-11,13H,12H2,(H,29,33)(H,30,31)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to DP1 receptor (unknown origin)


Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50381823
PNG
(CHEMBL2023649)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
Show InChI InChI=1S/C25H16Cl2N2O4/c26-20-10-7-15(11-21(20)27)25(33)29-17-8-5-14(6-9-17)24(32)23-19-4-2-1-3-18(19)16(13-28-23)12-22(30)31/h1-11,13H,12H2,(H,29,33)(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of COX-2


Bioorg Med Chem Lett 22: 3305-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50381823
PNG
(CHEMBL2023649)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
Show InChI InChI=1S/C25H16Cl2N2O4/c26-20-10-7-15(11-21(20)27)25(33)29-17-8-5-14(6-9-17)24(32)23-19-4-2-1-3-18(19)16(13-28-23)12-22(30)31/h1-11,13H,12H2,(H,29,33)(H,30,31)
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n/an/a 23n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 receptor in human Th2 cells assessed as inhibition of PGD2-induced chemotaxis after 1 hr by hemocytometry


Bioorg Med Chem Lett 22: 3305-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50381823
PNG
(CHEMBL2023649)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
Show InChI InChI=1S/C25H16Cl2N2O4/c26-20-10-7-15(11-21(20)27)25(33)29-17-8-5-14(6-9-17)24(32)23-19-4-2-1-3-18(19)16(13-28-23)12-22(30)31/h1-11,13H,12H2,(H,29,33)(H,30,31)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DP1 prostanoid receptor


Bioorg Med Chem Lett 22: 3305-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50381823
PNG
(CHEMBL2023649)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
Show InChI InChI=1S/C25H16Cl2N2O4/c26-20-10-7-15(11-21(20)27)25(33)29-17-8-5-14(6-9-17)24(32)23-19-4-2-1-3-18(19)16(13-28-23)12-22(30)31/h1-11,13H,12H2,(H,29,33)(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of COX-1


Bioorg Med Chem Lett 22: 3305-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50381823
PNG
(CHEMBL2023649)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
Show InChI InChI=1S/C25H16Cl2N2O4/c26-20-10-7-15(11-21(20)27)25(33)29-17-8-5-14(6-9-17)24(32)23-19-4-2-1-3-18(19)16(13-28-23)12-22(30)31/h1-11,13H,12H2,(H,29,33)(H,30,31)
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n/an/a 19n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 3305-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7
More data for this
Ligand-Target Pair