BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 317 hits with Last Name = 'seto' and Initial = 'c'   
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
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090516
PNG
(5-tert-Butyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C18H26N2/c1-18(2,3)14-7-8-17-16(11-14)13(12-19-17)10-15-6-5-9-20(15)4/h7-8,11-12,15,19H,5-6,9-10H2,1-4H3/t15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.25n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090517
PNG
(5-Isopropyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CC(C)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C17H24N2/c1-12(2)13-6-7-17-16(10-13)14(11-18-17)9-15-5-4-8-19(15)3/h6-7,10-12,15,18H,4-5,8-9H2,1-3H3/t15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.290n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090519
PNG
(CHEMBL300519 | [2-(5-Isopropyl-1H-indol-3-yl)-ethy...)
Show SMILES CC(C)c1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C15H22N2/c1-11(2)12-5-6-15-14(9-12)13(10-16-15)7-8-17(3)4/h5-6,9-11,16H,7-8H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090523
PNG
(2-(5-tert-Butyl-1-methyl-1H-indol-3-yl)-ethylamine...)
Show SMILES Cn1cc(CCN)c2cc(ccc12)C(C)(C)C
Show InChI InChI=1S/C15H22N2/c1-15(2,3)12-5-6-14-13(9-12)11(7-8-16)10-17(14)4/h5-6,9-10H,7-8,16H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.450n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50205275
PNG
(CHEMBL426559 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.570n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50205274
PNG
(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.840n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human TP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090522
PNG
(5-Ethyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-...)
Show SMILES CCc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C16H22N2/c1-3-12-6-7-16-15(9-12)13(11-17-16)10-14-5-4-8-18(14)2/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3/t14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.970n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50205276
PNG
(CHEMBL385126 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CC(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H19ClFNO3/c1-12(26)18-9-16(24)10-19-17-7-4-14(8-20(27)28)21(17)25(22(18)19)11-13-2-5-15(23)6-3-13/h2-3,5-6,9-10,14H,4,7-8,11H2,1H3,(H,27,28)/t14-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50205274
PNG
(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184217
PNG
(2-((R)-4-(4-chlorobenzyl)-5-(1-hydroxyethyl)-7-(me...)
Show SMILES CC(O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1S/C23H24ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,13,15,26H,5,8-9,12H2,1-2H3,(H,27,28)/t13?,15-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090521
PNG
(5-tert-Butyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole...)
Show SMILES CC(C)(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1
Show InChI InChI=1S/C18H26N2/c1-18(2,3)15-6-7-17-16(12-15)14(13-19-17)8-11-20-9-4-5-10-20/h6-7,12-13,19H,4-5,8-11H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184212
PNG
((R)-2-(4-(4-chlorobenzyl)-5-acetyl-7-(methylsulfon...)
Show SMILES CC(=O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1/C23H22ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,15H,5,8-9,12H2,1-2H3,(H,27,28)/t15-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50205275
PNG
(CHEMBL426559 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human TP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090515
PNG
(5-Methyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(C)cc12
Show InChI InChI=1S/C15H20N2/c1-11-5-6-15-14(8-11)12(10-16-15)9-13-4-3-7-17(13)2/h5-6,8,10,13,16H,3-4,7,9H2,1-2H3/t13-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.5n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090518
PNG
(5-Isopropyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole ...)
Show SMILES CC(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1
Show InChI InChI=1S/C17H24N2/c1-13(2)14-5-6-17-16(11-14)15(12-18-17)7-10-19-8-3-4-9-19/h5-6,11-13,18H,3-4,7-10H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.30n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50005835
PNG
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)
Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
5.5n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50205278
PNG
(2-(4-(4-chlorobenzyl)-7-fluoro-5-(methylsulfonyl)-...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.90n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50205277
PNG
((S)-2-(4-(4-chlorobenzyl)-7-fluoro-5-(methylsulfon...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m0/s1
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.60n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50090517
PNG
(5-Isopropyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CC(C)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C17H24N2/c1-12(2)13-6-7-17-16(10-13)14(11-18-17)9-15-5-4-8-19(15)3/h6-7,10-12,15,18H,4-5,8-9H2,1-3H3/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50205276
PNG
(CHEMBL385126 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CC(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H19ClFNO3/c1-12(26)18-9-16(24)10-19-17-7-4-14(8-20(27)28)21(17)25(22(18)19)11-13-2-5-15(23)6-3-13/h2-3,5-6,9-10,14H,4,7-8,11H2,1H3,(H,27,28)/t14-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human TP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50090519
PNG
(CHEMBL300519 | [2-(5-Isopropyl-1H-indol-3-yl)-ethy...)
Show SMILES CC(C)c1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C15H22N2/c1-11(2)12-5-6-15-14(9-12)13(10-16-15)7-8-17(3)4/h5-6,9-11,16H,7-8H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50090516
PNG
(5-tert-Butyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C18H26N2/c1-18(2,3)14-7-8-17-16(11-14)13(12-19-17)10-15-6-5-9-20(15)4/h7-8,11-12,15,19H,5-6,9-10H2,1-4H3/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50049099
PNG
(CHEMBL50492 | [2-(5-Ethyl-1H-indol-3-yl)-ethyl]-di...)
Show SMILES CCc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2/c1-4-11-5-6-14-13(9-11)12(10-15-14)7-8-16(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090520
PNG
(5-Ethyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole | CH...)
Show SMILES CCc1ccc2[nH]cc(CCN3CCCC3)c2c1
Show InChI InChI=1S/C16H22N2/c1-2-13-5-6-16-15(11-13)14(12-17-16)7-10-18-8-3-4-9-18/h5-6,11-12,17H,2-4,7-10H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
45n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50090522
PNG
(5-Ethyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-...)
Show SMILES CCc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C16H22N2/c1-3-12-6-7-16-15(9-12)13(11-17-16)10-14-5-4-8-18(14)2/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
47n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50005835
PNG
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)
Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

DrugBank
Article
PubMed
48n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50090515
PNG
(5-Methyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(C)cc12
Show InChI InChI=1S/C15H20N2/c1-11-5-6-15-14(8-11)12(10-16-15)9-13-4-3-7-17(13)2/h5-6,8,10,13,16H,3-4,7,9H2,1-2H3/t13-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
118n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50205275
PNG
(CHEMBL426559 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
136n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human EP2 receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50184212
PNG
((R)-2-(4-(4-chlorobenzyl)-5-acetyl-7-(methylsulfon...)
Show SMILES CC(=O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1/C23H22ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,15H,5,8-9,12H2,1-2H3,(H,27,28)/t15-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
230n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human EP2 receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049099
PNG
(CHEMBL50492 | [2-(5-Ethyl-1H-indol-3-yl)-ethyl]-di...)
Show SMILES CCc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2/c1-4-11-5-6-14-13(9-11)12(10-15-14)7-8-16(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
286n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50205276
PNG
(CHEMBL385126 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CC(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H19ClFNO3/c1-12(26)18-9-16(24)10-19-17-7-4-14(8-20(27)28)21(17)25(22(18)19)11-13-2-5-15(23)6-3-13/h2-3,5-6,9-10,14H,4,7-8,11H2,1H3,(H,27,28)/t14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
310n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human EP2 receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50090521
PNG
(5-tert-Butyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole...)
Show SMILES CC(C)(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1
Show InChI InChI=1S/C18H26N2/c1-18(2,3)15-6-7-17-16(12-15)14(13-19-17)8-11-20-9-4-5-10-20/h6-7,12-13,19H,4-5,8-11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
312n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50184217
PNG
(2-((R)-4-(4-chlorobenzyl)-5-(1-hydroxyethyl)-7-(me...)
Show SMILES CC(O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1S/C23H24ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,13,15,26H,5,8-9,12H2,1-2H3,(H,27,28)/t13?,15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
390n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human EP2 receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50205274
PNG
(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
400n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human IP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50205274
PNG
(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
410n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human EP2 receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50205274
PNG
(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
470n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human EP3 receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50090518
PNG
(5-Isopropyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole ...)
Show SMILES CC(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1
Show InChI InChI=1S/C17H24N2/c1-13(2)14-5-6-17-16(11-14)15(12-18-17)7-10-19-8-3-4-9-19/h5-6,11-13,18H,3-4,7-10H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
472n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50205275
PNG
(CHEMBL426559 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
745n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Activity at CRTH2 receptor


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50205275
PNG
(CHEMBL426559 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
892n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human EP3 receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50205277
PNG
((S)-2-(4-(4-chlorobenzyl)-7-fluoro-5-(methylsulfon...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m0/s1
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.05E+3n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human TP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50205275
PNG
(CHEMBL426559 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.16E+3n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human EP1 receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50184212
PNG
((R)-2-(4-(4-chlorobenzyl)-5-acetyl-7-(methylsulfon...)
Show SMILES CC(=O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1/C23H22ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,15H,5,8-9,12H2,1-2H3,(H,27,28)/t15-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human TP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50205276
PNG
(CHEMBL385126 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CC(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H19ClFNO3/c1-12(26)18-9-16(24)10-19-17-7-4-14(8-20(27)28)21(17)25(22(18)19)11-13-2-5-15(23)6-3-13/h2-3,5-6,9-10,14H,4,7-8,11H2,1H3,(H,27,28)/t14-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human EP3 receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50090520
PNG
(5-Ethyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole | CH...)
Show SMILES CCc1ccc2[nH]cc(CCN3CCCC3)c2c1
Show InChI InChI=1S/C16H22N2/c1-2-13-5-6-16-15(11-13)14(12-17-16)7-10-18-8-3-4-9-18/h5-6,11-12,17H,2-4,7-10H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.63E+3n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50102186
PNG
((Difluoro-phenyl-methyl)-phosphonic acid | CHEMBL5...)
Show SMILES OP(O)(=O)C(F)(F)c1ccccc1
Show InChI InChI=1S/C7H7F2O3P/c8-7(9,13(10,11)12)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Brown University

Curated by ChEMBL


Assay Description
Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B


Bioorg Med Chem Lett 11: 1935-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00325-0
BindingDB Entry DOI: 10.7270/Q23B5ZDV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50205274
PNG
(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.40E+3n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50205274
PNG
(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.40E+3n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human EP1 receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50081422
PNG
(2-((R)-3-{(R)-3-[(S)-2-((S)-Benzyloxycarbonylamino...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O
Show InChI InChI=1S/C39H41N5O7/c45-35(42-34(38(48)49)20-27-22-41-31-15-7-5-13-29(27)31)18-17-25-11-8-16-32(36(25)46)43-37(47)33(19-26-21-40-30-14-6-4-12-28(26)30)44-39(50)51-23-24-9-2-1-3-10-24/h1-7,9-10,12-15,21-22,25,32-34,40-41H,8,11,16-20,23H2,(H,42,45)(H,43,47)(H,44,50)(H,48,49)/t25-,32-,33+,34+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Brown University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against plasmin


J Med Chem 42: 4001-9 (1999)


Article DOI: 10.1021/jm990272g
BindingDB Entry DOI: 10.7270/Q2NP23MG
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50205275
PNG
(CHEMBL426559 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.63E+3n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human IP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50184217
PNG
(2-((R)-4-(4-chlorobenzyl)-5-(1-hydroxyethyl)-7-(me...)
Show SMILES CC(O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1S/C23H24ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,13,15,26H,5,8-9,12H2,1-2H3,(H,27,28)/t13?,15-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7.10E+3n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human TP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 317 total )  |  Next  |  Last  >>
Jump to: