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BDBM50162897 3-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-propionic acid::CHEMBL180929

SMILES: OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12

InChI Key: InChIKey=BZSMXDRJPDFXQG-UHFFFAOYSA-N

Data: 3 KI

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 = 50162897   
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))
BDBM50162897
PNG
(3-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h5-10,13,23H,1-4,11-12H2,(H,25,26)
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PC cid
PC sid
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Article
PubMed
250n/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 to CRTH-2 in hCRTH-2 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))
BDBM50162897
PNG
(3-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h5-10,13,23H,1-4,11-12H2,(H,25,26)
PDB

Reactome pathway
KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
250n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against CRTH-2 in hCRTH-2 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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50162897
PNG
(3-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h5-10,13,23H,1-4,11-12H2,(H,25,26)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+3n/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