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BDBM50162894 CHEMBL361972::[2-(4-Fluoro-benzenesulfonylamino)-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b]indol-5-yl]-acetic acid

SMILES: OC(=O)CN1C2CCCCCC2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12

InChI Key: InChIKey=HNROBLLXPPBPNO-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50162894   
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))
BDBM50162894
PNG
(CHEMBL361972 | [2-(4-Fluoro-benzenesulfonylamino)-...)
Show SMILES OC(=O)CN1C2CCCCCC2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C21H23FN2O4S/c22-14-6-9-16(10-7-14)29(27,28)23-15-8-11-20-18(12-15)17-4-2-1-3-5-19(17)24(20)13-21(25)26/h6-12,17,19,23H,1-5,13H2,(H,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
20n/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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50162894
PNG
(CHEMBL361972 | [2-(4-Fluoro-benzenesulfonylamino)-...)
Show SMILES OC(=O)CN1C2CCCCCC2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C21H23FN2O4S/c22-14-6-9-16(10-7-14)29(27,28)23-15-8-11-20-18(12-15)17-4-2-1-3-5-19(17)24(20)13-21(25)26/h6-12,17,19,23H,1-5,13H2,(H,25,26)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 in hTP binding assay using HEK293 cell membranes


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))
BDBM50162894
PNG
(CHEMBL361972 | [2-(4-Fluoro-benzenesulfonylamino)-...)
Show SMILES OC(=O)CN1C2CCCCCC2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C21H23FN2O4S/c22-14-6-9-16(10-7-14)29(27,28)23-15-8-11-20-18(12-15)17-4-2-1-3-5-19(17)24(20)13-21(25)26/h6-12,17,19,23H,1-5,13H2,(H,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/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