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BDBM50184223 2-(4-(4-chlorobenzyl)-7-(methylsulfonyl)-5-(thiophen-2-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid::CHEMBL207689

SMILES: CS(=O)(=O)c1cc(-c2cccs2)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1

InChI Key: InChIKey=ODZGZRHOEWCWAA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50184223   
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))
BDBM50184223
PNG
(2-(4-(4-chlorobenzyl)-7-(methylsulfonyl)-5-(thioph...)
Show SMILES CS(=O)(=O)c1cc(-c2cccs2)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C25H22ClNO4S2/c1-33(30,31)18-12-20-19-9-6-16(11-23(28)29)24(19)27(14-15-4-7-17(26)8-5-15)25(20)21(13-18)22-3-2-10-32-22/h2-5,7-8,10,12-13,16H,6,9,11,14H2,1H3,(H,28,29)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.5n/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))
BDBM50184223
PNG
(2-(4-(4-chlorobenzyl)-7-(methylsulfonyl)-5-(thioph...)
Show SMILES CS(=O)(=O)c1cc(-c2cccs2)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C25H22ClNO4S2/c1-33(30,31)18-12-20-19-9-6-16(11-23(28)29)24(19)27(14-15-4-7-17(26)8-5-15)25(20)21(13-18)22-3-2-10-32-22/h2-5,7-8,10,12-13,16H,6,9,11,14H2,1H3,(H,28,29)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
730n/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