new BindingDB logo
myBDB logout

BDBM50277668 (R)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-8-yl)acetic acid::CHEMBL483991

SMILES: CC(C)c1nccc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12

InChI Key: InChIKey=LUZBJNWFEDHIPR-GFCCVEGCSA-N

Data: 9 KI  3 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 12 hits for monomerid = 50277668   
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))
BDBM50277668
PNG
((R)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r|
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.320n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50277668
PNG
((R)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r|
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
851n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50277668
PNG
((R)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r|
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
935n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50277668
PNG
((R)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r|
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.98E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP2 receptor


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50277668
PNG
((R)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r|
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.79E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to CRTH2 receptor


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50277668
PNG
((R)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r|
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.13E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP4 receptor


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50277668
PNG
((R)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r|
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>2.57E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to FP receptor


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50277668
PNG
((R)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r|
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>2.57E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to IP receptor


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50277668
PNG
((R)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r|
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.85E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50277668
PNG
((R)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r|
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.04E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at TP1 in human platelet-rich plasma assessed as inhibition of U44619-induced platelet aggregation


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277668
PNG
((R)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r|
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP1 in human platelet-rich plasma assessed as inhibition of PGD2-induced [125I]cAMP production preincubated 10 mins before PGD...


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277668
PNG
((R)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r|
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.140n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP1 in washed human platelet assessed as inhibition of PGD2-induced [125I]cAMP production preincubated 10 mins before PGD2 cha...


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair