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BDBM330774 US9725442, Compound I-351::US9725442, Compound I-358

SMILES: CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C[C@@H]1c1ccccn1)n1nc(CC(O)=O)c2ccc(F)cc12

InChI Key: InChIKey=UGHQYLUEAFKBLO-NIYFSFCBSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 330774   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330774
PNG
(US9725442, Compound I-351 | US9725442, Compound I-...)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C[C@@H]1c1ccccn1)n1nc(CC(O)=O)c2ccc(F)cc12
Show InChI InChI=1S/C27H27FN4O5S/c1-17(2)37-20-7-9-21(10-8-20)38(35,36)31-16-19(14-26(31)23-5-3-4-12-29-23)32-25-13-18(28)6-11-22(25)24(30-32)15-27(33)34/h3-13,17,19,26H,14-16H2,1-2H3,(H,33,34)/t19-,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.51E+3n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Cell membrane was prepared from CRTH2-expressing K562 cell. The cell membrane (20 μg/well) was mixed with reaction buffer (50 mM Tris/HCl, pH 7....


US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330774
PNG
(US9725442, Compound I-351 | US9725442, Compound I-...)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C[C@@H]1c1ccccn1)n1nc(CC(O)=O)c2ccc(F)cc12
Show InChI InChI=1S/C27H27FN4O5S/c1-17(2)37-20-7-9-21(10-8-20)38(35,36)31-16-19(14-26(31)23-5-3-4-12-29-23)32-25-13-18(28)6-11-22(25)24(30-32)15-27(33)34/h3-13,17,19,26H,14-16H2,1-2H3,(H,33,34)/t19-,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.51E+3n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Cell membrane was prepared from CRTH2-expressing K562 cell. The cell membrane (20 μg/well) was mixed with reaction buffer (50 mM Tris/HCl, pH 7....


US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair