BindingDB logo
myBDB logout

Patent code US10172814

Compile Data Set for Download or QSAR

Found 213 hits of Enzyme Inhibition Constant Data   
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
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315157
PNG
((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)ph...)
Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C
Show InChI InChI=1S/C30H33ClN2O3/c1-3-20(16-28(34)35)26-9-6-10-27(19(26)2)33-30(36)29(22-7-4-5-8-22)23-13-11-21(12-14-23)24-15-25(31)18-32-17-24/h6,9-15,17-18,20,22,29H,3-5,7-8,16H2,1-2H3,(H,33,36)(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315131
PNG
((2R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)ph...)
Show SMILES CC(Cc1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C)C(O)=O
Show InChI InChI=1S/C29H31ClN2O3/c1-18(29(34)35)14-23-8-5-9-26(19(23)2)32-28(33)27(21-6-3-4-7-21)22-12-10-20(11-13-22)24-15-25(30)17-31-16-24/h5,8-13,15-18,21,27H,3-4,6-7,14H2,1-2H3,(H,32,33)(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.188n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM314872
PNG
((−) 3-{3-[(Cyclopentyl{3-fluoro-4-[5-(triflu...)
Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(c(F)c1)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C29H28F4N2O3/c1-17-18(10-12-26(36)37)7-4-8-25(17)35-28(38)27(19-5-2-3-6-19)20-9-11-23(24(30)14-20)21-13-22(16-34-15-21)29(31,32)33/h4,7-9,11,13-16,19,27H,2-3,5-6,10,12H2,1H3,(H,35,38)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315173
PNG
((3R/S)-3-(3-{[(2R/S)-2-Cyclopentyl-2-{3-fluoro-4-[...)
Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cncc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C30H30F4N2O3/c1-17(12-27(37)38)23-8-5-9-26(18(23)2)36-29(39)28(19-6-3-4-7-19)20-10-11-24(25(31)14-20)21-13-22(16-35-15-21)30(32,33)34/h5,8-11,13-17,19,28H,3-4,6-7,12H2,1-2H3,(H,36,39)(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.49n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315178
PNG
((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloro-6-methylpyridi...)
Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cnc(C)c(Cl)c2)c1C
Show InChI InChI=1S/C30H32ClFN2O3/c1-17(13-28(35)36)23-9-6-10-27(18(23)2)34-30(37)29(20-7-4-5-8-20)21-11-12-24(26(32)15-21)22-14-25(31)19(3)33-16-22/h6,9-12,14-17,20,29H,4-5,7-8,13H2,1-3H3,(H,34,37)(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.06n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315183
PNG
((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)-3...)
Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cncc(Cl)c2)c1C
Show InChI InChI=1S/C29H30ClFN2O3/c1-17(12-27(34)35)23-8-5-9-26(18(23)2)33-29(36)28(19-6-3-4-7-19)20-10-11-24(25(31)14-20)21-13-22(30)16-32-15-21/h5,8-11,13-17,19,28H,3-4,6-7,12H2,1-2H3,(H,33,36)(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.60n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315251
PNG
(3-(3-{[(2R)-2-cyclopentyl-2-{4-[6-methyl-5-(triflu...)
Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cnc(C)c(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C32H34F4N2O3/c1-4-20(16-29(39)40)24-10-7-11-28(18(24)2)38-31(41)30(21-8-5-6-9-21)22-12-13-25(27(33)15-22)23-14-26(32(34,35)36)19(3)37-17-23/h7,10-15,17,20-21,30H,4-6,8-9,16H2,1-3H3,(H,38,41)(H,39,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.57n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315244
PNG
(3-[3-({cyclopentyl[3-fluoro-4-(5-isobutylpyridin-3...)
Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cncc(CC(C)C)c2)c1C
Show InChI InChI=1S/C34H41FN2O3/c1-5-24(18-32(38)39)28-11-8-12-31(22(28)4)37-34(40)33(25-9-6-7-10-25)26-13-14-29(30(35)17-26)27-16-23(15-21(2)3)19-36-20-27/h8,11-14,16-17,19-21,24-25,33H,5-7,9-10,15,18H2,1-4H3,(H,37,40)(H,38,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.82n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315188
PNG
((3R/S)-3-(3-{[(2R/S)-2-Cyclobutyl-2-{4-[5-(trifluo...)
Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCC2)c2ccc(cc2)-c2cncc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C29H29F3N2O3/c1-17(13-26(35)36)24-7-4-8-25(18(24)2)34-28(37)27(20-5-3-6-20)21-11-9-19(10-12-21)22-14-23(16-33-15-22)29(30,31)32/h4,7-12,14-17,20,27H,3,5-6,13H2,1-2H3,(H,34,37)(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.59n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315143
PNG
((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)ph...)
Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C
Show InChI InChI=1S/C29H31ClN2O3/c1-18(14-27(33)34)25-8-5-9-26(19(25)2)32-29(35)28(21-6-3-4-7-21)22-12-10-20(11-13-22)23-15-24(30)17-31-16-23/h5,8-13,15-18,21,28H,3-4,6-7,14H2,1-2H3,(H,32,35)(H,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315143
PNG
((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)ph...)
Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C
Show InChI InChI=1S/C29H31ClN2O3/c1-18(14-27(33)34)25-8-5-9-26(19(25)2)32-29(35)28(21-6-3-4-7-21)22-12-10-20(11-13-22)23-15-24(30)17-31-16-23/h5,8-13,15-18,21,28H,3-4,6-7,14H2,1-2H3,(H,32,35)(H,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.67n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM314852
PNG
((−) {3-[(Cyclopentyl{4-[5-(trifluoromethyl)p...)
Show SMILES Cc1c(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(c2)C(F)(F)F)cccc1OCC(O)=O
Show InChI InChI=1S/C28H27F3N2O4/c1-17-23(7-4-8-24(17)37-16-25(34)35)33-27(36)26(19-5-2-3-6-19)20-11-9-18(10-12-20)21-13-22(15-32-14-21)28(29,30)31/h4,7-15,19,26H,2-3,5-6,16H2,1H3,(H,33,36)(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.85n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315256
PNG
((−) 3-{3-[(cyclobutyl{3-fluoro-4-[6-methyl-5...)
Show SMILES Cc1ncc(cc1C(F)(F)F)-c1ccc(cc1F)C(C1CCC1)C(=O)Nc1cccc(CCC(O)=O)c1C
Show InChI InChI=1S/C29H28F4N2O3/c1-16-18(10-12-26(36)37)5-4-8-25(16)35-28(38)27(19-6-3-7-19)20-9-11-22(24(30)14-20)21-13-23(29(31,32)33)17(2)34-15-21/h4-5,8-9,11,13-15,19,27H,3,6-7,10,12H2,1-2H3,(H,35,38)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10.1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315252
PNG
(3-[3-({(2R)-2-cyclopentyl-2-[4-(5-isobutylpyridin-...)
Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)[C@H](C2CCCC2)c2ccc(cc2)-c2cncc(CC(C)C)c2)c1C
Show InChI InChI=1S/C34H42N2O3/c1-5-25(19-32(37)38)30-11-8-12-31(23(30)4)36-34(39)33(27-9-6-7-10-27)28-15-13-26(14-16-28)29-18-24(17-22(2)3)20-35-21-29/h8,11-16,18,20-22,25,27,33H,5-7,9-10,17,19H2,1-4H3,(H,36,39)(H,37,38)/t25?,33-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10.4n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315245
PNG
(3-[3-({cyclopentyl[4-(5-ethylpyridin-3-yl)-3-fluor...)
Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cncc(CC)c2)c1C
Show InChI InChI=1S/C32H37FN2O3/c1-4-21-15-25(19-34-18-21)27-14-13-24(16-28(27)33)31(23-9-6-7-10-23)32(38)35-29-12-8-11-26(20(29)3)22(5-2)17-30(36)37/h8,11-16,18-19,22-23,31H,4-7,9-10,17H2,1-3H3,(H,35,38)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315157
PNG
((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)ph...)
Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C
Show InChI InChI=1S/C30H33ClN2O3/c1-3-20(16-28(34)35)26-9-6-10-27(19(26)2)33-30(36)29(22-7-4-5-8-22)23-13-11-21(12-14-23)24-15-25(31)18-32-17-24/h6,9-15,17-18,20,22,29H,3-5,7-8,16H2,1-2H3,(H,33,36)(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11.2n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315207
PNG
(((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)-...)
Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCC2)c2ccc(c(F)c2)-c2cncc(Cl)c2)c1C
Show InChI InChI=1S/C28H28ClFN2O3/c1-16(11-26(33)34)22-7-4-8-25(17(22)2)32-28(35)27(18-5-3-6-18)19-9-10-23(24(30)13-19)20-12-21(29)15-31-14-20/h4,7-10,12-16,18,27H,3,5-6,11H2,1-2H3,(H,32,35)(H,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11.7n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315203
PNG
((3R/S)-3-(3-{[(2R/S)-2-Cyclobutyl-2-{3-fluoro-4-[5...)
Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCC2)c2ccc(c(F)c2)-c2cncc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C29H28F4N2O3/c1-16(11-26(36)37)22-7-4-8-25(17(22)2)35-28(38)27(18-5-3-6-18)19-9-10-23(24(30)13-19)20-12-21(15-34-14-20)29(31,32)33/h4,7-10,12-16,18,27H,3,5-6,11H2,1-2H3,(H,35,38)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.6n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315193
PNG
((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)ph...)
Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C
Show InChI InChI=1S/C28H29ClN2O3/c1-17(13-26(32)33)24-7-4-8-25(18(24)2)31-28(34)27(20-5-3-6-20)21-11-9-19(10-12-21)22-14-23(29)16-30-15-22/h4,7-12,14-17,20,27H,3,5-6,13H2,1-2H3,(H,31,34)(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.7n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315163
PNG
((3R/S)-3-[3-({(2R/S)-2-Cyclopentyl-2-[4-(5-ethylpy...)
Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(CC)c2)c1C
Show InChI InChI=1S/C32H38N2O3/c1-4-22-17-27(20-33-19-22)24-13-15-26(16-14-24)31(25-9-6-7-10-25)32(37)34-29-12-8-11-28(21(29)3)23(5-2)18-30(35)36/h8,11-17,19-20,23,25,31H,4-7,9-10,18H2,1-3H3,(H,34,37)(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.9n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315155
PNG
((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloro-6-methylpyridi...)
Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cnc(C)c(Cl)c2)c1C
Show InChI InChI=1S/C30H33ClN2O3/c1-18(15-28(34)35)25-9-6-10-27(19(25)2)33-30(36)29(22-7-4-5-8-22)23-13-11-21(12-14-23)24-16-26(31)20(3)32-17-24/h6,9-14,16-18,22,29H,4-5,7-8,15H2,1-3H3,(H,33,36)(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315198
PNG
((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloro-6-methylpyridi...)
Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCC2)c2ccc(cc2)-c2cnc(C)c(Cl)c2)c1C
Show InChI InChI=1S/C29H31ClN2O3/c1-17(14-27(33)34)24-8-5-9-26(18(24)2)32-29(35)28(21-6-4-7-21)22-12-10-20(11-13-22)23-15-25(30)19(3)31-16-23/h5,8-13,15-17,21,28H,4,6-7,14H2,1-3H3,(H,32,35)(H,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315242
PNG
(3-(3-{[(2R)-2-cyclopentyl-2-{4-[6-methyl-5-(triflu...)
Show SMILES Cc1ncc(cc1C(F)(F)F)-c1ccc(cc1)[C@@H](C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C
Show InChI InChI=1S/C30H31F3N2O3/c1-18-20(14-15-27(36)37)8-5-9-26(18)35-29(38)28(22-6-3-4-7-22)23-12-10-21(11-13-23)24-16-25(30(31,32)33)19(2)34-17-24/h5,8-13,16-17,22,28H,3-4,6-7,14-15H2,1-2H3,(H,35,38)(H,36,37)/t28-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM314854
PNG
((R/S) [3-({[4-(5-Chloropyridin-3-yl)phenyl](cyclop...)
Show SMILES Cc1c(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)cccc1OCC(O)=O
Show InChI InChI=1S/C27H27ClN2O4/c1-17-23(7-4-8-24(17)34-16-25(31)32)30-27(33)26(19-5-2-3-6-19)20-11-9-18(10-12-20)21-13-22(28)15-29-14-21/h4,7-15,19,26H,2-3,5-6,16H2,1H3,(H,30,33)(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315257
PNG
(3-[3-({cyclobutyl[3-fluoro-4-(5-isobutylpyridin-3-...)
Show SMILES CC(C)Cc1cncc(c1)-c1ccc(cc1F)C(C1CCC1)C(=O)Nc1cccc(CCC(O)=O)c1C
Show InChI InChI=1S/C31H35FN2O3/c1-19(2)14-21-15-25(18-33-17-21)26-12-10-24(16-27(26)32)30(23-7-4-8-23)31(37)34-28-9-5-6-22(20(28)3)11-13-29(35)36/h5-6,9-10,12,15-19,23,30H,4,7-8,11,13-14H2,1-3H3,(H,34,37)(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14.1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM314872
PNG
((−) 3-{3-[(Cyclopentyl{3-fluoro-4-[5-(triflu...)
Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(c(F)c1)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C29H28F4N2O3/c1-17-18(10-12-26(36)37)7-4-8-25(17)35-28(38)27(19-5-2-3-6-19)20-9-11-23(24(30)14-20)21-13-22(16-34-15-21)29(31,32)33/h4,7-9,11,13-16,19,27H,2-3,5-6,10,12H2,1H3,(H,35,38)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14.2n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM314856
PNG
((R/S) 3-[3-({[4-(5-Chloropyridin-3-yl)phenyl](cycl...)
Show SMILES COc1ccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c(C)c1CCC(O)=O
Show InChI InChI=1S/C29H31ClN2O4/c1-18-24(11-14-27(33)34)26(36-2)13-12-25(18)32-29(35)28(20-5-3-4-6-20)21-9-7-19(8-10-21)22-15-23(30)17-31-16-22/h7-10,12-13,15-17,20,28H,3-6,11,14H2,1-2H3,(H,32,35)(H,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14.3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM314851
PNG
((R/S) {3-[(Cyclopentyl{4-[5-(trifluoromethyl)pyrid...)
Show SMILES Cc1c(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(c2)C(F)(F)F)cccc1OCC(O)=O
Show InChI InChI=1S/C28H27F3N2O4/c1-17-23(7-4-8-24(17)37-16-25(34)35)33-27(36)26(19-5-2-3-6-19)20-11-9-18(10-12-20)21-13-22(15-32-14-21)28(29,30)31/h4,7-15,19,26H,2-3,5-6,16H2,1H3,(H,33,36)(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14.3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM314816
PNG
((R/S) 3-{3-[(Cyclopentyl{4-[5-(trifluoromethyl)pyr...)
Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(cc1)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N2O3/c1-18-19(13-14-26(35)36)7-4-8-25(18)34-28(37)27(21-5-2-3-6-21)22-11-9-20(10-12-22)23-15-24(17-33-16-23)29(30,31)32/h4,7-12,15-17,21,27H,2-3,5-6,13-14H2,1H3,(H,34,37)(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315239
PNG
(3-(3-{[(2R)-2-cyclopentyl-2-{4-[5-(2-methylpropyl)...)
Show SMILES CC(C)Cc1cncc(c1)-c1ccc(cc1)[C@@H](C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C
Show InChI InChI=1S/C32H38N2O3/c1-21(2)17-23-18-28(20-33-19-23)25-11-13-27(14-12-25)31(26-7-4-5-8-26)32(37)34-29-10-6-9-24(22(29)3)15-16-30(35)36/h6,9-14,18-21,26,31H,4-5,7-8,15-17H2,1-3H3,(H,34,37)(H,35,36)/t31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM314843
PNG
((−) (R) 3-[3-({[4-(5-Chloro-6-methylpyridin-...)
Show SMILES Cc1ncc(cc1Cl)-c1ccc(cc1)[C@@H](C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C
Show InChI InChI=1S/C29H31ClN2O3/c1-18-20(14-15-27(33)34)8-5-9-26(18)32-29(35)28(22-6-3-4-7-22)23-12-10-21(11-13-23)24-16-25(30)19(2)31-17-24/h5,8-13,16-17,22,28H,3-4,6-7,14-15H2,1-2H3,(H,32,35)(H,33,34)/t28-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15.6n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315173
PNG
((3R/S)-3-(3-{[(2R/S)-2-Cyclopentyl-2-{3-fluoro-4-[...)
Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cncc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C30H30F4N2O3/c1-17(12-27(37)38)23-8-5-9-26(18(23)2)36-29(39)28(19-6-3-4-7-19)20-10-11-24(25(31)14-20)21-13-22(16-35-15-21)30(32,33)34/h5,8-11,13-17,19,28H,3-4,6-7,12H2,1-2H3,(H,36,39)(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15.6n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315178
PNG
((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloro-6-methylpyridi...)
Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cnc(C)c(Cl)c2)c1C
Show InChI InChI=1S/C30H32ClFN2O3/c1-17(13-28(35)36)23-9-6-10-27(18(23)2)34-30(37)29(20-7-4-5-8-20)21-11-12-24(26(32)15-21)22-14-25(31)19(3)33-16-22/h6,9-12,14-17,20,29H,4-5,7-8,13H2,1-3H3,(H,34,37)(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15.9n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM314870
PNG
((R/S) 3-{3-[(Cyclopentyl{3-fluoro-4-[5-(trifluorom...)
Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(c(F)c1)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C29H28F4N2O3/c1-17-18(10-12-26(36)37)7-4-8-25(17)35-28(38)27(19-5-2-3-6-19)20-9-11-23(24(30)14-20)21-13-22(16-34-15-21)29(31,32)33/h4,7-9,11,13-16,19,27H,2-3,5-6,10,12H2,1H3,(H,35,38)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15.9n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315253
PNG
(3-[3-({(2R)-2-cyclopentyl-2-[4-(5-isopropoxypyridi...)
Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)[C@H](C2CCCC2)c2ccc(cc2)-c2cncc(OC(C)C)c2)c1C
Show InChI InChI=1S/C33H40N2O4/c1-5-23(18-31(36)37)29-11-8-12-30(22(29)4)35-33(38)32(25-9-6-7-10-25)26-15-13-24(14-16-26)27-17-28(20-34-19-27)39-21(2)3/h8,11-17,19-21,23,25,32H,5-7,9-10,18H2,1-4H3,(H,35,38)(H,36,37)/t23?,32-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16.7n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM314867
PNG
((−) 3-[3-({[4-(5-Chloropyridin-3-yl)-3-fluor...)
Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(c(F)c1)-c1cncc(Cl)c1
Show InChI InChI=1S/C28H28ClFN2O3/c1-17-18(10-12-26(33)34)7-4-8-25(17)32-28(35)27(19-5-2-3-6-19)20-9-11-23(24(30)14-20)21-13-22(29)16-31-15-21/h4,7-9,11,13-16,19,27H,2-3,5-6,10,12H2,1H3,(H,32,35)(H,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17.6n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315250
PNG
(3-(3-{[(2R)-2-cyclopentyl-2-{4-[5-(2,2,2-trifluoro...)
Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)[C@H](C2CCCC2)c2ccc(cc2)-c2cncc(CC(F)(F)F)c2)c1C
Show InChI InChI=1S/C32H35F3N2O3/c1-3-22(16-29(38)39)27-9-6-10-28(20(27)2)37-31(40)30(24-7-4-5-8-24)25-13-11-23(12-14-25)26-15-21(18-36-19-26)17-32(33,34)35/h6,9-15,18-19,22,24,30H,3-5,7-8,16-17H2,1-2H3,(H,37,40)(H,38,39)/t22?,30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17.7n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM314867
PNG
((−) 3-[3-({[4-(5-Chloropyridin-3-yl)-3-fluor...)
Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(c(F)c1)-c1cncc(Cl)c1
Show InChI InChI=1S/C28H28ClFN2O3/c1-17-18(10-12-26(33)34)7-4-8-25(17)32-28(35)27(19-5-2-3-6-19)20-9-11-23(24(30)14-20)21-13-22(29)16-31-15-21/h4,7-9,11,13-16,19,27H,2-3,5-6,10,12H2,1H3,(H,32,35)(H,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315173
PNG
((3R/S)-3-(3-{[(2R/S)-2-Cyclopentyl-2-{3-fluoro-4-[...)
Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cncc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C30H30F4N2O3/c1-17(12-27(37)38)23-8-5-9-26(18(23)2)36-29(39)28(19-6-3-4-7-19)20-10-11-24(25(31)14-20)21-13-22(16-35-15-21)30(32,33)34/h5,8-11,13-17,19,28H,3-4,6-7,12H2,1-2H3,(H,36,39)(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM314859
PNG
((R/S) 3-{3-[(Cyclopentyl{3-methyl-4-[5-(trifluorom...)
Show SMILES Cc1cc(ccc1-c1cncc(c1)C(F)(F)F)C(C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C
Show InChI InChI=1S/C30H31F3N2O3/c1-18-14-22(10-12-25(18)23-15-24(17-34-16-23)30(31,32)33)28(21-6-3-4-7-21)29(38)35-26-9-5-8-20(19(26)2)11-13-27(36)37/h5,8-10,12,14-17,21,28H,3-4,6-7,11,13H2,1-2H3,(H,35,38)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 19.2n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315247
PNG
((−) 3-{3-[(cyclopentyl{3-fluoro-4-[6-methyl-...)
Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(c(F)c1)-c1cnc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H27F5N2O3/c1-16-17(10-12-25(37)38)7-4-8-24(16)36-28(39)26(18-5-2-3-6-18)19-9-11-21(23(30)14-19)20-13-22(29(32,33)34)27(31)35-15-20/h4,7-9,11,13-15,18,26H,2-3,5-6,10,12H2,1H3,(H,36,39)(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 19.3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315248
PNG
((−) 3-[3-({cyclopentyl[3-fluoro-4-(5-isobuty...)
Show SMILES CC(C)Cc1cc(cnc1C)-c1ccc(cc1F)C(C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C
Show InChI InChI=1S/C33H39FN2O3/c1-20(2)16-26-17-27(19-35-22(26)4)28-14-12-25(18-29(28)34)32(24-8-5-6-9-24)33(39)36-30-11-7-10-23(21(30)3)13-15-31(37)38/h7,10-12,14,17-20,24,32H,5-6,8-9,13,15-16H2,1-4H3,(H,36,39)(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315149
PNG
((3R/S)-3-(3-{[(2R/S)-2-Cyclopentyl-2-{4-[5-(triflu...)
Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C30H31F3N2O3/c1-18(14-27(36)37)25-8-5-9-26(19(25)2)35-29(38)28(21-6-3-4-7-21)22-12-10-20(11-13-22)23-15-24(17-34-16-23)30(31,32)33/h5,8-13,15-18,21,28H,3-4,6-7,14H2,1-2H3,(H,35,38)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20.3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM314817
PNG
((−) (R) 3-{3-[(Cyclopentyl{4-[5-(trifluorome...)
Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)[C@H](C1CCCC1)c1ccc(cc1)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N2O3/c1-18-19(13-14-26(35)36)7-4-8-25(18)34-28(37)27(21-5-2-3-6-21)22-11-9-20(10-12-22)23-15-24(17-33-16-23)29(30,31)32/h4,7-12,15-17,21,27H,2-3,5-6,13-14H2,1H3,(H,34,37)(H,35,36)/t27-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20.4n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315254
PNG
(3-[3-({(2R)-2-cyclopentyl-2-[4-(5-ethylpyridin-3-y...)
Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)[C@H](C2CCCC2)c2ccc(cc2)-c2cncc(CC)c2)c1C
Show InChI InChI=1S/C32H38N2O3/c1-4-22-17-27(20-33-19-22)24-13-15-26(16-14-24)31(25-9-6-7-10-25)32(37)34-29-12-8-11-28(21(29)3)23(5-2)18-30(35)36/h8,11-17,19-20,23,25,31H,4-7,9-10,18H2,1-3H3,(H,34,37)(H,35,36)/t23?,31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20.8n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM314817
PNG
((−) (R) 3-{3-[(Cyclopentyl{4-[5-(trifluorome...)
Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)[C@H](C1CCCC1)c1ccc(cc1)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N2O3/c1-18-19(13-14-26(35)36)7-4-8-25(18)34-28(37)27(21-5-2-3-6-21)22-11-9-20(10-12-22)23-15-24(17-33-16-23)29(30,31)32/h4,7-12,15-17,21,27H,2-3,5-6,13-14H2,1H3,(H,34,37)(H,35,36)/t27-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM314841
PNG
((R/S) 3-[3-({[4-(5-Chloro-6-methylpyridin-3-yl)phe...)
Show SMILES Cc1ncc(cc1Cl)-c1ccc(cc1)C(C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C
Show InChI InChI=1S/C29H31ClN2O3/c1-18-20(14-15-27(33)34)8-5-9-26(18)32-29(35)28(22-6-3-4-7-22)23-12-10-21(11-13-23)24-16-25(30)19(2)31-17-24/h5,8-13,16-17,22,28H,3-4,6-7,14-15H2,1-2H3,(H,32,35)(H,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315150
PNG
((3R/S)-3-[3-({(2R/S)-2-Cyclopentyl-2-[4-(5-ethylpy...)
Show SMILES CCc1cncc(c1)-c1ccc(cc1)C(C1CCCC1)C(=O)Nc1cccc(C(C)CC(O)=O)c1C
Show InChI InChI=1S/C31H36N2O3/c1-4-22-17-26(19-32-18-22)23-12-14-25(15-13-23)30(24-8-5-6-9-24)31(36)33-28-11-7-10-27(21(28)3)20(2)16-29(34)35/h7,10-15,17-20,24,30H,4-6,8-9,16H2,1-3H3,(H,33,36)(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315143
PNG
((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)ph...)
Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C
Show InChI InChI=1S/C29H31ClN2O3/c1-18(14-27(33)34)25-8-5-9-26(19(25)2)32-29(35)28(21-6-3-4-7-21)22-12-10-20(11-13-22)23-15-24(30)17-31-16-23/h5,8-13,15-18,21,28H,3-4,6-7,14H2,1-2H3,(H,32,35)(H,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22.2n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM315178
PNG
((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloro-6-methylpyridi...)
Show SMILES CC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(c(F)c2)-c2cnc(C)c(Cl)c2)c1C
Show InChI InChI=1S/C30H32ClFN2O3/c1-17(13-28(35)36)23-9-6-10-27(18(23)2)34-30(37)29(20-7-4-5-8-20)21-11-12-24(26(32)15-21)22-14-25(31)19(3)33-16-22/h6,9-12,14-17,20,29H,4-5,7-8,13H2,1-3H3,(H,34,37)(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22.8n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 213 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%