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SMILES: Cc1c(CC(O)=O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=KJHLVJFPNIRQQD-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 = 50174357   
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))
BDBM50174357
PNG
(CHEMBL199040 | [1-(4-Chloro-benzenesulfonyl)-5-flu...)
Show SMILES Cc1c(CC(O)=O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H13ClFNO4S/c1-10-14(9-17(21)22)15-8-12(19)4-7-16(15)20(10)25(23,24)13-5-2-11(18)3-6-13/h2-8H,9H2,1H3,(H,21,22)
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Article
PubMed
29n/an/an/an/an/an/an/an/a



Oxagen Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human CRTH2 receptor expressed in CHO cells


J Med Chem 48: 6174-7 (2005)


Article DOI: 10.1021/jm050519b
BindingDB Entry DOI: 10.7270/Q2KK9B9B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50174357
PNG
(CHEMBL199040 | [1-(4-Chloro-benzenesulfonyl)-5-flu...)
Show SMILES Cc1c(CC(O)=O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H13ClFNO4S/c1-10-14(9-17(21)22)15-8-12(19)4-7-16(15)20(10)25(23,24)13-5-2-11(18)3-6-13/h2-8H,9H2,1H3,(H,21,22)
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antibodypedia
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Article
PubMed
8.46E+3n/an/an/an/an/an/an/an/a



Oxagen Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human DP receptor expressed in CHO cells


J Med Chem 48: 6174-7 (2005)


Article DOI: 10.1021/jm050519b
BindingDB Entry DOI: 10.7270/Q2KK9B9B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50174357
PNG
(CHEMBL199040 | [1-(4-Chloro-benzenesulfonyl)-5-flu...)
Show SMILES Cc1c(CC(O)=O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H13ClFNO4S/c1-10-14(9-17(21)22)15-8-12(19)4-7-16(15)20(10)25(23,24)13-5-2-11(18)3-6-13/h2-8H,9H2,1H3,(H,21,22)
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n/an/a 26n/an/an/an/an/an/a



Oxagen Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit PGD-2 (10 nM) stimulated [Ca2+] flux in CHO cells expressing human CRTH2 receptor


J Med Chem 48: 6174-7 (2005)


Article DOI: 10.1021/jm050519b
BindingDB Entry DOI: 10.7270/Q2KK9B9B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50174357
PNG
(CHEMBL199040 | [1-(4-Chloro-benzenesulfonyl)-5-flu...)
Show SMILES Cc1c(CC(O)=O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H13ClFNO4S/c1-10-14(9-17(21)22)15-8-12(19)4-7-16(15)20(10)25(23,24)13-5-2-11(18)3-6-13/h2-8H,9H2,1H3,(H,21,22)
PDB

Reactome pathway
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Article
PubMed
n/an/a 908n/an/an/an/an/an/a



Oxagen Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit PGD-2 induced change in the shape of human eosinophils expressing CRTH2


J Med Chem 48: 6174-7 (2005)


Article DOI: 10.1021/jm050519b
BindingDB Entry DOI: 10.7270/Q2KK9B9B
More data for this
Ligand-Target Pair