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BDBM50184225 2-(9-(4-chlorobenzyl)-8-(methylsulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetic acid::CHEMBL210471

SMILES: CS(=O)(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12

InChI Key: InChIKey=LOFDECJHZOIDID-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 = 50184225   
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
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184225
PNG
(2-(9-(4-chlorobenzyl)-8-(methylsulfonyl)-2,3,4,9-t...)
Show SMILES CS(=O)(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO4S/c1-29(27,28)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50184225
PNG
(2-(9-(4-chlorobenzyl)-8-(methylsulfonyl)-2,3,4,9-t...)
Show SMILES CS(=O)(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO4S/c1-29(27,28)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.10n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to TP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50184225
PNG
(2-(9-(4-chlorobenzyl)-8-(methylsulfonyl)-2,3,4,9-t...)
Show SMILES CS(=O)(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO4S/c1-29(27,28)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 431n/an/an/an/an/an/a



Merck & Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 (unknown origin)


Bioorg Med Chem Lett 28: 1122-1126 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C
More data for this
Ligand-Target Pair