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SMILES: Cc1nc(cn1C)S(=O)(=O)n1c(C)c(CC(O)=O)c2cc(F)ccc12

InChI Key: InChIKey=FUMGENIWIXFGTF-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50174355   
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))
BDBM50174355
PNG
(CHEMBL194019 | [1-(1,2-Dimethyl-1H-imidazole-4-sul...)
Show SMILES Cc1nc(cn1C)S(=O)(=O)n1c(C)c(CC(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C16H16FN3O4S/c1-9-12(7-16(21)22)13-6-11(17)4-5-14(13)20(9)25(23,24)15-8-19(3)10(2)18-15/h4-6,8H,7H2,1-3H3,(H,21,22)
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PC sid
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2.98E+3n/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))
BDBM50174355
PNG
(CHEMBL194019 | [1-(1,2-Dimethyl-1H-imidazole-4-sul...)
Show SMILES Cc1nc(cn1C)S(=O)(=O)n1c(C)c(CC(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C16H16FN3O4S/c1-9-12(7-16(21)22)13-6-11(17)4-5-14(13)20(9)25(23,24)15-8-19(3)10(2)18-15/h4-6,8H,7H2,1-3H3,(H,21,22)
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/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))
BDBM50174355
PNG
(CHEMBL194019 | [1-(1,2-Dimethyl-1H-imidazole-4-sul...)
Show SMILES Cc1nc(cn1C)S(=O)(=O)n1c(C)c(CC(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C16H16FN3O4S/c1-9-12(7-16(21)22)13-6-11(17)4-5-14(13)20(9)25(23,24)15-8-19(3)10(2)18-15/h4-6,8H,7H2,1-3H3,(H,21,22)
PDB

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PubMed
n/an/a>1.00E+4n/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