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BDBM50333861 (R)-2-(7-(5-chloro-N-methylthiophene-2-sulfonamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid::CHEMBL1643801

SMILES: CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(Cl)s1

InChI Key: InChIKey=UVDYNJXUCJCCQN-GFCCVEGCSA-N

Data: 3 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 4 hits for monomerid = 50333861   
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))
BDBM50333861
PNG
((R)-2-(7-(5-chloro-N-methylthiophene-2-sulfonamido...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C19H19ClN2O4S2/c1-21(28(25,26)19-9-8-17(20)27-19)12-6-7-16-14(10-18(23)24)13-4-2-3-5-15(13)22(16)11-12/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,23,24)/t12-/m1/s1
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Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assay


Bioorg Med Chem Lett 21: 288-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.015
BindingDB Entry DOI: 10.7270/Q2959HTH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50333861
PNG
((R)-2-(7-(5-chloro-N-methylthiophene-2-sulfonamido...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C19H19ClN2O4S2/c1-21(28(25,26)19-9-8-17(20)27-19)12-6-7-16-14(10-18(23)24)13-4-2-3-5-15(13)22(16)11-12/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,23,24)/t12-/m1/s1
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antibodypedia
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Article
PubMed
283n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to prostanoid DP1 receptor


Bioorg Med Chem Lett 21: 288-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.015
BindingDB Entry DOI: 10.7270/Q2959HTH
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50333861
PNG
((R)-2-(7-(5-chloro-N-methylthiophene-2-sulfonamido...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C19H19ClN2O4S2/c1-21(28(25,26)19-9-8-17(20)27-19)12-6-7-16-14(10-18(23)24)13-4-2-3-5-15(13)22(16)11-12/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,23,24)/t12-/m1/s1
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PubMed
2.84E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to thromboxane receptor


Bioorg Med Chem Lett 21: 288-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.015
BindingDB Entry DOI: 10.7270/Q2959HTH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50333861
PNG
((R)-2-(7-(5-chloro-N-methylthiophene-2-sulfonamido...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C19H19ClN2O4S2/c1-21(28(25,26)19-9-8-17(20)27-19)12-6-7-16-14(10-18(23)24)13-4-2-3-5-15(13)22(16)11-12/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,23,24)/t12-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTH2 receptor expressed in HEK293 cells assessed as inhibition of DK-PGD2-induced intracellular cAMP format...


Bioorg Med Chem Lett 21: 288-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.015
BindingDB Entry DOI: 10.7270/Q2959HTH
More data for this
Ligand-Target Pair