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BDBM50162896 CHEMBL369330::[3-tert-Butyl-6-(4-fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-acetic acid

SMILES: CC(C)(C)C1CCc2c(C1)c1cc(NS(=O)(=O)c3ccc(F)cc3)ccc1n2CC(O)=O

InChI Key: InChIKey=HWLCJLIFLSJKKB-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50162896   
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))
BDBM50162896
PNG
(CHEMBL369330 | [3-tert-Butyl-6-(4-fluoro-benzenesu...)
Show SMILES CC(C)(C)C1CCc2c(C1)c1cc(NS(=O)(=O)c3ccc(F)cc3)ccc1n2CC(O)=O
Show InChI InChI=1S/C24H27FN2O4S/c1-24(2,3)15-4-10-21-19(12-15)20-13-17(7-11-22(20)27(21)14-23(28)29)26-32(30,31)18-8-5-16(25)6-9-18/h5-9,11,13,15,26H,4,10,12,14H2,1-3H3,(H,28,29)
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PC cid
PC sid
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Similars

Article
PubMed
150n/an/an/an/an/an/an/an/a



Athersys Inc

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for PGD2-mediated receptor activation in a fluorescence assay that measures changes in intracellular calcium


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50162896
PNG
(CHEMBL369330 | [3-tert-Butyl-6-(4-fluoro-benzenesu...)
Show SMILES CC(C)(C)C1CCc2c(C1)c1cc(NS(=O)(=O)c3ccc(F)cc3)ccc1n2CC(O)=O
Show InChI InChI=1S/C24H27FN2O4S/c1-24(2,3)15-4-10-21-19(12-15)20-13-17(7-11-22(20)27(21)14-23(28)29)26-32(30,31)18-8-5-16(25)6-9-18/h5-9,11,13,15,26H,4,10,12,14H2,1-3H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Athersys Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound for PGD2-mediated receptor activation in a fluorescence assay that measures changes in intracellular calcium


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair