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BDBM154982 US9000044, 1

SMILES: Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(F)cc12

InChI Key: InChIKey=CIEBAZGXWLYEPD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 154982   
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))
BDBM154982
PNG
(US9000044, 1)
Show SMILES Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(F)cc12
Show InChI InChI=1S/C26H21FO4S/c1-16-5-3-4-6-24(16)32(30,31)22-11-8-18(9-12-22)26-17(2)20(14-25(28)29)13-19-7-10-21(27)15-23(19)26/h3-13,15H,14H2,1-2H3,(H,28,29)
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PC cid
PC sid
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Similars

US Patent
n/an/a 0.300n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...


US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM154982
PNG
(US9000044, 1)
Show SMILES Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(F)cc12
Show InChI InChI=1S/C26H21FO4S/c1-16-5-3-4-6-24(16)32(30,31)22-11-8-18(9-12-22)26-17(2)20(14-25(28)29)13-19-7-10-21(27)15-23(19)26/h3-13,15H,14H2,1-2H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.90n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A whole cell receptor binding assay using [3H]ramatroban as the competing radioactive ligand was employed to evaluate the compound binding activity t...


US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair