BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'lu' and Initial = 'mw'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) by Pfizer mobility shift assay


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/s2
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>0.00100n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at TP human prostaglandin receptor using [3H]-SQ-29,548 as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human wild type EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50106547
PNG
(7-[3,5-Dihydroxy-2-(3-hydroxy-4-phenoxy-but-1-enyl...)
Show SMILES O[C@@H](COc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H30O6/c23-16(15-28-17-8-4-3-5-9-17)12-13-19-18(20(24)14-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,16,18-21,23-25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t16-,18-,19-,20+,21-/m1/s1
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at FP human prostaglandin receptor using [3H]-PGF-2 alpha as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FER


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of FER (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of LTK (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/s2
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at FP human prostaglandin receptor using [3H]-PGF-2 alpha as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM25308
PNG
((1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosph...)
Show SMILES OC(Cc1cnc2ccccn12)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of human FPPS after 10 mins using [14C]IPP as substrate by liquid scintillation counting


J Med Chem 53: 3454-64 (2010)

Checked by Author
Article DOI: 10.1021/jm900232u
BindingDB Entry DOI: 10.7270/Q21837FJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NTRK2 (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fes/Fps


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of FES (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PTK2B (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNK2 (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PTK2 (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NTRK1 (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NTRK3 (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50106547
PNG
(7-[3,5-Dihydroxy-2-(3-hydroxy-4-phenoxy-but-1-enyl...)
Show SMILES O[C@@H](COc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H30O6/c23-16(15-28-17-8-4-3-5-9-17)12-13-19-18(20(24)14-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,16,18-21,23-25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t16-,18-,19-,20+,21-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional activity in RAT-1 cells, transiently transfected with human prostaglandin EP1 receptor


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50106548
PNG
(CHEMBL440164 | {6-[3,5-Dihydroxy-2-(3-hydroxy-4-ph...)
Show SMILES CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1
Show InChI InChI=1S/C22H33O6P/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27)/b7-2-,13-12+/t17-,19-,20-,21+,22-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at FP human prostaglandin receptor using [3H]-PGF-2 alpha as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human wild type EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at EP3 human prostaglandin receptor using [3H]-PGE-2 as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50106546
PNG
(CHEMBL134546 | {6-[3,5-Dihydroxy-2-(3-hydroxy-oct-...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCP(O)=O
Show InChI InChI=1S/C19H35O5P/c1-2-3-6-9-15(20)11-12-17-16(18(21)14-19(17)22)10-7-4-5-8-13-25(23)24/h4,7,11-12,15-22,25H,2-3,5-6,8-10,13-14H2,1H3,(H,23,24)/b7-4-,12-11+/t15-,16+,17+,18-,19+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 114n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at FP human prostaglandin receptor using [3H]-PGF-2 alpha as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50106547
PNG
(7-[3,5-Dihydroxy-2-(3-hydroxy-4-phenoxy-but-1-enyl...)
Show SMILES O[C@@H](COc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H30O6/c23-16(15-28-17-8-4-3-5-9-17)12-13-19-18(20(24)14-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,16,18-21,23-25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t16-,18-,19-,20+,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 186n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional activity in RAT-1 cells, transiently transfected with human prostaglandin EP3 receptor


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/s2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at EP1 human prostaglandin receptor using [3H]-PGE-2 as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50106549
PNG
(CHEMBL336781 | {6-[3,5-Dihydroxy-2-(3-hydroxy-oct-...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCP(C)(O)=O
Show InChI InChI=1S/C20H37O5P/c1-3-4-7-10-16(21)12-13-18-17(19(22)15-20(18)23)11-8-5-6-9-14-26(2,24)25/h5,8,12-13,16-23H,3-4,6-7,9-11,14-15H2,1-2H3,(H,24,25)/b8-5-,13-12+/t16-,17+,18+,19-,20+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 311n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at FP human prostaglandin receptor using [3H]-PGF-2 alpha as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50106547
PNG
(7-[3,5-Dihydroxy-2-(3-hydroxy-4-phenoxy-but-1-enyl...)
Show SMILES O[C@@H](COc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H30O6/c23-16(15-28-17-8-4-3-5-9-17)12-13-19-18(20(24)14-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,16,18-21,23-25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t16-,18-,19-,20+,21-/m1/s1
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 510n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional activity in RAT-1 cells, transiently transfected with human prostaglandin TP receptor


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (Human))
BDBM25308
PNG
((1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosph...)
Show SMILES OC(Cc1cnc2ccccn12)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 670n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of GGPPS after 10 mins using [14C]IPP as substrate by liquid scintillation counting


J Med Chem 53: 3454-64 (2010)

Checked by Author
Article DOI: 10.1021/jm900232u
BindingDB Entry DOI: 10.7270/Q21837FJ
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50106553
PNG
(CHEMBL336543 | {6-[3,5-Dihydroxy-2-(3-hydroxy-oct-...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCP(O)(O)=O
Show InChI InChI=1S/C19H35O6P/c1-2-3-6-9-15(20)11-12-17-16(18(21)14-19(17)22)10-7-4-5-8-13-26(23,24)25/h4,7,11-12,15-22H,2-3,5-6,8-10,13-14H2,1H3,(H2,23,24,25)/b7-4-,12-11+/t15-,16+,17+,18-,19+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at FP human prostaglandin receptor using [3H]- PGF-2 alpha as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50106552
PNG
(CHEMBL133945 | {6-[3,5-Dihydroxy-2-(3-hydroxy-oct-...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCP(O)(=O)CC
Show InChI InChI=1S/C21H39O5P/c1-3-5-8-11-17(22)13-14-19-18(20(23)16-21(19)24)12-9-6-7-10-15-27(25,26)4-2/h6,9,13-14,17-24H,3-5,7-8,10-12,15-16H2,1-2H3,(H,25,26)/b9-6-,14-13+/t17-,18+,19+,20-,21+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at FP human prostaglandin receptor using [3H]-PGF-2 alpha as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at EP4 human prostaglandin receptor using [3H]-PGE-2 as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/s2
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at DP human prostaglandin receptor using [3H]- PGD-2 as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50106551
PNG
(Butyl-{6-[3,5-dihydroxy-2-(3-hydroxy-oct-1-enyl)-c...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCP(O)(=O)CCCC
Show InChI InChI=1S/C23H43O5P/c1-3-5-9-12-19(24)14-15-21-20(22(25)18-23(21)26)13-10-7-8-11-17-29(27,28)16-6-4-2/h7,10,14-15,19-26H,3-6,8-9,11-13,16-18H2,1-2H3,(H,27,28)/b10-7-,15-14+/t19-,20+,21+,22-,23+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at FP human prostaglandin receptor using [3H]-PGF-2 alpha as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50106546
PNG
(CHEMBL134546 | {6-[3,5-Dihydroxy-2-(3-hydroxy-oct-...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCP(O)=O
Show InChI InChI=1S/C19H35O5P/c1-2-3-6-9-15(20)11-12-17-16(18(21)14-19(17)22)10-7-4-5-8-13-25(23)24/h4,7,11-12,15-22,25H,2-3,5-6,8-10,13-14H2,1H3,(H,23,24)/b7-4-,12-11+/t15-,16+,17+,18-,19+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at TP human prostaglandin receptor using [3H]-SQ-29,548 as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50318032
PNG
((+)-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosp...)
Show SMILES OC(=O)C(O)(Cc1cnc2ccccn12)P(O)(O)=O
Show InChI InChI=1/C10H11N2O6P/c13-9(14)10(15,19(16,17)18)5-7-6-11-8-3-1-2-4-12(7)8/h1-4,6,15H,5H2,(H,13,14)(H2,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of human FPPS after 10 mins using [14C]IPP as substrate by liquid scintillation counting


J Med Chem 53: 3454-64 (2010)

Checked by Author
Article DOI: 10.1021/jm900232u
BindingDB Entry DOI: 10.7270/Q21837FJ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50106546
PNG
(CHEMBL134546 | {6-[3,5-Dihydroxy-2-(3-hydroxy-oct-...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCP(O)=O
Show InChI InChI=1S/C19H35O5P/c1-2-3-6-9-15(20)11-12-17-16(18(21)14-19(17)22)10-7-4-5-8-13-25(23)24/h4,7,11-12,15-22,25H,2-3,5-6,8-10,13-14H2,1H3,(H,23,24)/b7-4-,12-11+/t15-,16+,17+,18-,19+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at EP4 human prostaglandin receptor using [3H]-PGE-2 as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50106548
PNG
(CHEMBL440164 | {6-[3,5-Dihydroxy-2-(3-hydroxy-4-ph...)
Show SMILES CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1
Show InChI InChI=1S/C22H33O6P/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27)/b7-2-,13-12+/t17-,19-,20-,21+,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at EP4 human prostaglandin receptor using [3H]-PGE-2 as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50106546
PNG
(CHEMBL134546 | {6-[3,5-Dihydroxy-2-(3-hydroxy-oct-...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCP(O)=O
Show InChI InChI=1S/C19H35O5P/c1-2-3-6-9-15(20)11-12-17-16(18(21)14-19(17)22)10-7-4-5-8-13-25(23)24/h4,7,11-12,15-22,25H,2-3,5-6,8-10,13-14H2,1H3,(H,23,24)/b7-4-,12-11+/t15-,16+,17+,18-,19+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at EP2 human prostaglandin receptor using [3H]-PGE-2 as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50106546
PNG
(CHEMBL134546 | {6-[3,5-Dihydroxy-2-(3-hydroxy-oct-...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCP(O)=O
Show InChI InChI=1S/C19H35O5P/c1-2-3-6-9-15(20)11-12-17-16(18(21)14-19(17)22)10-7-4-5-8-13-25(23)24/h4,7,11-12,15-22,25H,2-3,5-6,8-10,13-14H2,1H3,(H,23,24)/b7-4-,12-11+/t15-,16+,17+,18-,19+/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at prostanoid IP receptor using [3H]-Iloprost as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50106548
PNG
(CHEMBL440164 | {6-[3,5-Dihydroxy-2-(3-hydroxy-4-ph...)
Show SMILES CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1
Show InChI InChI=1S/C22H33O6P/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27)/b7-2-,13-12+/t17-,19-,20-,21+,22-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at TP human prostaglandin receptor using [3H]-SQ-29,548 as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50106548
PNG
(CHEMBL440164 | {6-[3,5-Dihydroxy-2-(3-hydroxy-4-ph...)
Show SMILES CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1
Show InChI InChI=1S/C22H33O6P/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27)/b7-2-,13-12+/t17-,19-,20-,21+,22-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at EP1 human prostaglandin receptor using [3H]-PGE-2 as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50106546
PNG
(CHEMBL134546 | {6-[3,5-Dihydroxy-2-(3-hydroxy-oct-...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCP(O)=O
Show InChI InChI=1S/C19H35O5P/c1-2-3-6-9-15(20)11-12-17-16(18(21)14-19(17)22)10-7-4-5-8-13-25(23)24/h4,7,11-12,15-22,25H,2-3,5-6,8-10,13-14H2,1H3,(H,23,24)/b7-4-,12-11+/t15-,16+,17+,18-,19+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at DP human prostaglandin receptor using [3H]- PGD-2 as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50106550
PNG
(CHEMBL334810 | {6-[3,5-Dihydroxy-2-(3-hydroxy-oct-...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCP(O)(=O)OCC
Show InChI InChI=1S/C21H39O6P/c1-3-5-8-11-17(22)13-14-19-18(20(23)16-21(19)24)12-9-6-7-10-15-28(25,26)27-4-2/h6,9,13-14,17-24H,3-5,7-8,10-12,15-16H2,1-2H3,(H,25,26)/b9-6-,14-13+/t17-,18+,19+,20-,21+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at FP human prostaglandin receptor using [3H]- PGF-2 alpha as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50106548
PNG
(CHEMBL440164 | {6-[3,5-Dihydroxy-2-(3-hydroxy-4-ph...)
Show SMILES CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1
Show InChI InChI=1S/C22H33O6P/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27)/b7-2-,13-12+/t17-,19-,20-,21+,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at EP3 human prostaglandin receptor using [3H]-PGE-2 as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50106548
PNG
(CHEMBL440164 | {6-[3,5-Dihydroxy-2-(3-hydroxy-4-ph...)
Show SMILES CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1
Show InChI InChI=1S/C22H33O6P/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27)/b7-2-,13-12+/t17-,19-,20-,21+,22-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at DP human prostaglandin receptor using [3H]- PGD-2 as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50106546
PNG
(CHEMBL134546 | {6-[3,5-Dihydroxy-2-(3-hydroxy-oct-...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCP(O)=O
Show InChI InChI=1S/C19H35O5P/c1-2-3-6-9-15(20)11-12-17-16(18(21)14-19(17)22)10-7-4-5-8-13-25(23)24/h4,7,11-12,15-22,25H,2-3,5-6,8-10,13-14H2,1H3,(H,23,24)/b7-4-,12-11+/t15-,16+,17+,18-,19+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at EP3 human prostaglandin receptor using [3H]-PGE-2 as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50106548
PNG
(CHEMBL440164 | {6-[3,5-Dihydroxy-2-(3-hydroxy-4-ph...)
Show SMILES CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1
Show InChI InChI=1S/C22H33O6P/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27)/b7-2-,13-12+/t17-,19-,20-,21+,22-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at EP2 human prostaglandin receptor


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50106546
PNG
(CHEMBL134546 | {6-[3,5-Dihydroxy-2-(3-hydroxy-oct-...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCP(O)=O
Show InChI InChI=1S/C19H35O5P/c1-2-3-6-9-15(20)11-12-17-16(18(21)14-19(17)22)10-7-4-5-8-13-25(23)24/h4,7,11-12,15-22,25H,2-3,5-6,8-10,13-14H2,1H3,(H,23,24)/b7-4-,12-11+/t15-,16+,17+,18-,19+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at EP1 human prostaglandin receptor using [3H]-PGE-2 as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50106548
PNG
(CHEMBL440164 | {6-[3,5-Dihydroxy-2-(3-hydroxy-4-ph...)
Show SMILES CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1
Show InChI InChI=1S/C22H33O6P/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27)/b7-2-,13-12+/t17-,19-,20-,21+,22-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at prostanoid IP receptor using [3H]-Iloprost as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at EP2 human prostaglandin receptor using [3H]-PGE-2 as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/s2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at prostanoid IP receptor using [3H]-Iloprost as radioligand


J Med Chem 44: 4157-69 (2001)


Article DOI: 10.1021/jm010264b
BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (Human))
BDBM50318032
PNG
((+)-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosp...)
Show SMILES OC(=O)C(O)(Cc1cnc2ccccn12)P(O)(O)=O
Show InChI InChI=1/C10H11N2O6P/c13-9(14)10(15,19(16,17)18)5-7-6-11-8-3-1-2-4-12(7)8/h1-4,6,15H,5H2,(H,13,14)(H2,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of GGPPS after 10 mins using [14C]IPP as substrate by liquid scintillation counting


J Med Chem 53: 3454-64 (2010)

Checked by Author
Article DOI: 10.1021/jm900232u
BindingDB Entry DOI: 10.7270/Q21837FJ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 52 total )  |  Next  |  Last  >>
Jump to: