Found 48 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM13065
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50029593
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322764
(CHEMBL1171447 | clematernoside K)Show SMILES COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)C6(C)C)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O |r,t:57| Show InChI InChI=1S/C104H162O56/c1-36-56(112)65(121)73(129)89(142-36)154-80-47(30-107)147-87(77(133)70(80)126)139-33-49-61(117)68(124)76(132)93(151-49)160-98(136)104-24-22-99(4,5)27-41(104)40-14-16-53-101(8)20-19-54(100(6,7)52(101)18-21-103(53,10)102(40,9)23-25-104)152-96-84(59(115)43(110)32-138-96)158-94-79(135)82(58(114)38(3)143-94)156-88-72(128)63(119)51(34-140-88)149-90-78(134)71(127)81(48(31-108)148-90)155-97-86(153-55(111)17-13-39-12-15-44(137-11)42(109)26-39)83(64(120)46(29-106)146-97)157-92-75(131)67(123)62(118)50(150-92)35-141-95-85(69(125)57(113)37(2)144-95)159-91-74(130)66(122)60(116)45(28-105)145-91/h12-15,17,26,36-38,41,43,45-54,56-97,105-110,112-135H,16,18-25,27-35H2,1-11H3/b17-13+/t36-,37-,38-,41-,43-,45+,46+,47+,48+,49+,50+,51+,52-,53+,54-,56-,57-,58-,59-,60+,61+,62+,63+,64+,65+,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83-,84+,85+,86+,87+,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,101-,102+,103+,104-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322755
(3-O-alpha-L-rhamnopyranosyl-(1-6)-[beta-D-glucopyr...)Show SMILES COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@]6(C)CO)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1O |r,t:57| Show InChI InChI=1S/C104H162O57/c1-36-56(113)64(121)72(129)87(143-36)142-34-51-82(156-92-74(131)66(123)60(117)45(27-105)146-92)70(127)78(135)93(152-51)159-84-63(120)46(28-106)147-97(86(84)154-55(112)16-12-39-11-14-44(138-10)42(110)25-39)157-81-48(30-108)149-91(77(134)69(81)126)150-50-33-141-89(71(128)62(50)119)158-83-58(115)38(3)145-95(79(83)136)160-85-59(116)43(111)31-139-96(85)153-54-18-19-100(6)52(101(54,7)35-109)17-20-103(9)53(100)15-13-40-41-26-99(4,5)21-23-104(41,24-22-102(40,103)8)98(137)161-94-75(132)67(124)61(118)49(151-94)32-140-88-76(133)68(125)80(47(29-107)148-88)155-90-73(130)65(122)57(114)37(2)144-90/h11-14,16,25,36-38,41,43,45-54,56-97,105-111,113-136H,15,17-24,26-35H2,1-10H3/b16-12+/t36-,37-,38-,41-,43+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54-,56-,57-,58-,59-,60+,61+,62+,63+,64+,65+,66-,67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84-,85+,86+,87+,88+,89-,90-,91-,92-,93-,94-,95-,96-,97-,100-,101-,102+,103+,104-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322755
(3-O-alpha-L-rhamnopyranosyl-(1-6)-[beta-D-glucopyr...)Show SMILES COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@]6(C)CO)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1O |r,t:57| Show InChI InChI=1S/C104H162O57/c1-36-56(113)64(121)72(129)87(143-36)142-34-51-82(156-92-74(131)66(123)60(117)45(27-105)146-92)70(127)78(135)93(152-51)159-84-63(120)46(28-106)147-97(86(84)154-55(112)16-12-39-11-14-44(138-10)42(110)25-39)157-81-48(30-108)149-91(77(134)69(81)126)150-50-33-141-89(71(128)62(50)119)158-83-58(115)38(3)145-95(79(83)136)160-85-59(116)43(111)31-139-96(85)153-54-18-19-100(6)52(101(54,7)35-109)17-20-103(9)53(100)15-13-40-41-26-99(4,5)21-23-104(41,24-22-102(40,103)8)98(137)161-94-75(132)67(124)61(118)49(151-94)32-140-88-76(133)68(125)80(47(29-107)148-88)155-90-73(130)65(122)57(114)37(2)144-90/h11-14,16,25,36-38,41,43,45-54,56-97,105-111,113-136H,15,17-24,26-35H2,1-10H3/b16-12+/t36-,37-,38-,41-,43+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54-,56-,57-,58-,59-,60+,61+,62+,63+,64+,65+,66-,67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84-,85+,86+,87+,88+,89-,90-,91-,92-,93-,94-,95-,96-,97-,100-,101-,102+,103+,104-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322764
(CHEMBL1171447 | clematernoside K)Show SMILES COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)C6(C)C)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O |r,t:57| Show InChI InChI=1S/C104H162O56/c1-36-56(112)65(121)73(129)89(142-36)154-80-47(30-107)147-87(77(133)70(80)126)139-33-49-61(117)68(124)76(132)93(151-49)160-98(136)104-24-22-99(4,5)27-41(104)40-14-16-53-101(8)20-19-54(100(6,7)52(101)18-21-103(53,10)102(40,9)23-25-104)152-96-84(59(115)43(110)32-138-96)158-94-79(135)82(58(114)38(3)143-94)156-88-72(128)63(119)51(34-140-88)149-90-78(134)71(127)81(48(31-108)148-90)155-97-86(153-55(111)17-13-39-12-15-44(137-11)42(109)26-39)83(64(120)46(29-106)146-97)157-92-75(131)67(123)62(118)50(150-92)35-141-95-85(69(125)57(113)37(2)144-95)159-91-74(130)66(122)60(116)45(28-105)145-91/h12-15,17,26,36-38,41,43,45-54,56-97,105-110,112-135H,16,18-25,27-35H2,1-11H3/b17-13+/t36-,37-,38-,41-,43-,45+,46+,47+,48+,49+,50+,51+,52-,53+,54-,56-,57-,58-,59-,60+,61+,62+,63+,64+,65+,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83-,84+,85+,86+,87+,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,101-,102+,103+,104-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322754
(3-O-beta-Dglucopyranosyl-(1-2)-alpha-L-rhamnopyran...)Show SMILES COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@]6(C)CO)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O |r,t:57| Show InChI InChI=1S/C104H162O57/c1-36-56(113)65(122)73(130)89(143-36)155-80-47(29-107)148-87(77(134)70(80)127)140-32-49-61(118)68(125)76(133)93(152-49)161-98(137)104-23-21-99(4,5)26-41(104)40-13-15-53-100(6)19-18-54(101(7,35-109)52(100)17-20-103(53,9)102(40,8)22-24-104)153-96-84(59(116)43(111)31-139-96)159-94-79(136)82(58(115)38(3)144-94)157-88-72(129)63(120)51(33-141-88)150-90-78(135)71(128)81(48(30-108)149-90)156-97-86(154-55(112)16-12-39-11-14-44(138-10)42(110)25-39)83(64(121)46(28-106)147-97)158-92-75(132)67(124)62(119)50(151-92)34-142-95-85(69(126)57(114)37(2)145-95)160-91-74(131)66(123)60(117)45(27-105)146-91/h11-14,16,25,36-38,41,43,45-54,56-97,105-111,113-136H,15,17-24,26-35H2,1-10H3/b16-12+/t36-,37-,38-,41-,43+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54-,56-,57-,58-,59-,60+,61+,62+,63+,64+,65+,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83-,84+,85+,86+,87+,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,100-,101-,102+,103+,104-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322758
(3-O-[(6-O-isoferuloyl)-beta-D-glucopyranosyl]-(1-4...)Show SMILES COc1ccc(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)C6(C)C)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1O |r,t:59| Show InChI InChI=1S/C86H132O42/c1-33-50(92)56(98)62(104)74(116-33)124-68-41(27-87)118-72(65(107)59(68)101)114-31-44-54(96)58(100)64(106)77(122-44)128-80(110)86-23-21-81(3,4)26-37(86)36-13-15-47-83(7)19-18-48(82(5,6)46(83)17-20-85(47,9)84(36,8)22-24-86)123-79-71(52(94)39(90)29-113-79)127-78-67(109)70(51(93)34(2)117-78)126-73-61(103)55(97)45(32-115-73)120-75-66(108)60(102)69(42(28-88)119-75)125-76-63(105)57(99)53(95)43(121-76)30-112-49(91)16-12-35-11-14-40(111-10)38(89)25-35/h11-14,16,25,33-34,37,39,41-48,50-79,87-90,92-109H,15,17-24,26-32H2,1-10H3/b16-12+/t33-,34-,37-,39+,41+,42+,43+,44+,45+,46-,47+,48-,50-,51-,52-,53+,54+,55+,56+,57-,58-,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73-,74-,75-,76-,77-,78-,79-,83-,84+,85+,86-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322759
(3-O-beta-D-glucopyranosyl-(1-3)-[(2-O-isoferuloyl)...)Show SMILES COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@]6(C)CO)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O |r,t:57| Show InChI InChI=1S/C92H142O48/c1-34-52(101)59(108)65(114)79(125-34)135-71-44(28-95)129-77(68(117)62(71)111)123-31-46-56(105)61(110)67(116)82(132-46)140-86(120)92-22-20-87(3,4)25-38(92)37-12-14-49-88(5)18-17-50(89(6,33-97)48(88)16-19-91(49,8)90(37,7)21-23-92)133-84-75(54(103)40(99)30-122-84)139-83-70(119)73(53(102)35(2)126-83)137-78-64(113)57(106)47(32-124-78)131-80-69(118)63(112)72(45(29-96)130-80)136-85-76(134-51(100)15-11-36-10-13-41(121-9)39(98)24-36)74(58(107)43(27-94)128-85)138-81-66(115)60(109)55(104)42(26-93)127-81/h10-13,15,24,34-35,38,40,42-50,52-85,93-99,101-119H,14,16-23,25-33H2,1-9H3/b15-11+/t34-,35-,38-,40+,42+,43+,44+,45+,46+,47+,48+,49+,50-,52-,53-,54-,55+,56+,57+,58+,59+,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74-,75+,76+,77+,78-,79-,80-,81-,82-,83-,84-,85-,88-,89-,90+,91+,92-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322760
(CHEMBL1171257 | clematernoside B)Show SMILES COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)C6(C)C)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)[C@@H]2O)cc1O |r,t:63| Show InChI InChI=1S/C86H132O42/c1-33-50(93)56(99)61(104)74(115-33)124-67-42(28-88)118-72(63(106)58(67)101)113-31-44-53(96)57(100)62(105)76(121-44)128-80(110)86-23-21-81(3,4)26-37(86)36-13-15-47-83(7)19-18-48(82(5,6)46(83)17-20-85(47,9)84(36,8)22-24-86)122-79-71(52(95)39(91)30-112-79)127-77-65(108)69(51(94)34(2)116-77)126-73-60(103)54(97)45(32-114-73)120-75-64(107)59(102)68(43(29-89)119-75)125-78-66(109)70(55(98)41(27-87)117-78)123-49(92)16-12-35-11-14-40(111-10)38(90)25-35/h11-14,16,25,33-34,37,39,41-48,50-79,87-91,93-109H,15,17-24,26-32H2,1-10H3/b16-12+/t33-,34-,37-,39-,41+,42+,43+,44+,45+,46-,47+,48-,50-,51-,52-,53+,54+,55+,56+,57-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70-,71+,72+,73-,74-,75-,76-,77-,78-,79-,83-,84+,85+,86-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322761
(CHEMBL1171258 | clematernoside C)Show SMILES COc1ccc(\C=C\C(=O)O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4[C@@H](O)[C@H](C)O[C@@H](O[C@@H]5[C@@H](O)[C@@H](O)CO[C@H]5O[C@H]5CC[C@@]6(C)[C@@H](CC[C@]7(C)[C@@H]6CC=C6[C@@H]8CC(C)(C)CC[C@@]8(CC[C@@]76C)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)C5(C)C)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2O)cc1O |r,t:66| Show InChI InChI=1S/C86H132O42/c1-33-50(93)56(99)62(105)74(115-33)124-67-42(28-88)118-72(64(107)59(67)102)113-31-44-54(97)57(100)63(106)76(121-44)128-80(110)86-23-21-81(3,4)26-37(86)36-13-15-47-83(7)19-18-48(82(5,6)46(83)17-20-85(47,9)84(36,8)22-24-86)122-78-70(52(95)39(91)30-112-78)127-77-66(109)69(51(94)34(2)116-77)126-73-61(104)55(98)45(32-114-73)120-75-65(108)60(103)68(43(29-89)119-75)125-79-71(58(101)53(96)41(27-87)117-79)123-49(92)16-12-35-11-14-40(111-10)38(90)25-35/h11-14,16,25,33-34,37,39,41-48,50-79,87-91,93-109H,15,17-24,26-32H2,1-10H3/b16-12+/t33-,34-,37-,39-,41+,42+,43+,44+,45+,46-,47+,48-,50-,51-,52-,53+,54+,55+,56+,57-,58-,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73-,74-,75-,76-,77-,78-,79-,83-,84+,85+,86-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322756
(3-O-[(3-O-isoferuloyl)-beta-D-glucopyranosyl]-(1-4...)Show SMILES COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@]6(C)CO)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)[C@@H]2O)cc1O |r,t:63| Show InChI InChI=1S/C86H132O43/c1-33-50(94)56(100)61(105)74(116-33)125-67-42(27-88)119-72(63(107)58(67)102)114-30-44-53(97)57(101)62(106)76(122-44)129-80(111)86-22-20-81(3,4)25-37(86)36-12-14-47-82(5)18-17-48(83(6,32-90)46(82)16-19-85(47,8)84(36,7)21-23-86)123-79-71(52(96)39(92)29-113-79)128-77-65(109)69(51(95)34(2)117-77)127-73-60(104)54(98)45(31-115-73)121-75-64(108)59(103)68(43(28-89)120-75)126-78-66(110)70(55(99)41(26-87)118-78)124-49(93)15-11-35-10-13-40(112-9)38(91)24-35/h10-13,15,24,33-34,37,39,41-48,50-79,87-92,94-110H,14,16-23,25-32H2,1-9H3/b15-11+/t33-,34-,37-,39+,41+,42+,43+,44+,45+,46+,47+,48-,50-,51-,52-,53+,54+,55+,56+,57-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70-,71+,72+,73-,74-,75-,76-,77-,78-,79-,82-,83-,84+,85+,86-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322754
(3-O-beta-Dglucopyranosyl-(1-2)-alpha-L-rhamnopyran...)Show SMILES COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@]6(C)CO)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O |r,t:57| Show InChI InChI=1S/C104H162O57/c1-36-56(113)65(122)73(130)89(143-36)155-80-47(29-107)148-87(77(134)70(80)127)140-32-49-61(118)68(125)76(133)93(152-49)161-98(137)104-23-21-99(4,5)26-41(104)40-13-15-53-100(6)19-18-54(101(7,35-109)52(100)17-20-103(53,9)102(40,8)22-24-104)153-96-84(59(116)43(111)31-139-96)159-94-79(136)82(58(115)38(3)144-94)157-88-72(129)63(120)51(33-141-88)150-90-78(135)71(128)81(48(30-108)149-90)156-97-86(154-55(112)16-12-39-11-14-44(138-10)42(110)25-39)83(64(121)46(28-106)147-97)158-92-75(132)67(124)62(119)50(151-92)34-142-95-85(69(126)57(114)37(2)145-95)160-91-74(131)66(123)60(117)45(27-105)146-91/h11-14,16,25,36-38,41,43,45-54,56-97,105-111,113-136H,15,17-24,26-35H2,1-10H3/b16-12+/t36-,37-,38-,41-,43+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54-,56-,57-,58-,59-,60+,61+,62+,63+,64+,65+,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83-,84+,85+,86+,87+,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,100-,101-,102+,103+,104-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322758
(3-O-[(6-O-isoferuloyl)-beta-D-glucopyranosyl]-(1-4...)Show SMILES COc1ccc(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)C6(C)C)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1O |r,t:59| Show InChI InChI=1S/C86H132O42/c1-33-50(92)56(98)62(104)74(116-33)124-68-41(27-87)118-72(65(107)59(68)101)114-31-44-54(96)58(100)64(106)77(122-44)128-80(110)86-23-21-81(3,4)26-37(86)36-13-15-47-83(7)19-18-48(82(5,6)46(83)17-20-85(47,9)84(36,8)22-24-86)123-79-71(52(94)39(90)29-113-79)127-78-67(109)70(51(93)34(2)117-78)126-73-61(103)55(97)45(32-115-73)120-75-66(108)60(102)69(42(28-88)119-75)125-76-63(105)57(99)53(95)43(121-76)30-112-49(91)16-12-35-11-14-40(111-10)38(89)25-35/h11-14,16,25,33-34,37,39,41-48,50-79,87-90,92-109H,15,17-24,26-32H2,1-10H3/b16-12+/t33-,34-,37-,39+,41+,42+,43+,44+,45+,46-,47+,48-,50-,51-,52-,53+,54+,55+,56+,57-,58-,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73-,74-,75-,76-,77-,78-,79-,83-,84+,85+,86-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322757
(3-O-[(6-O-isoferuloyl)-beta-D-glucopyranosyl]-(1-4...)Show SMILES COc1ccc(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@]6(C)CO)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1O |r,t:59| Show InChI InChI=1S/C86H132O43/c1-33-50(93)56(99)62(105)74(117-33)125-68-41(26-87)119-72(65(108)59(68)102)115-30-44-54(97)58(101)64(107)77(123-44)129-80(111)86-22-20-81(3,4)25-37(86)36-12-14-47-82(5)18-17-48(83(6,32-89)46(82)16-19-85(47,8)84(36,7)21-23-86)124-79-71(52(95)39(91)28-114-79)128-78-67(110)70(51(94)34(2)118-78)127-73-61(104)55(98)45(31-116-73)121-75-66(109)60(103)69(42(27-88)120-75)126-76-63(106)57(100)53(96)43(122-76)29-113-49(92)15-11-35-10-13-40(112-9)38(90)24-35/h10-13,15,24,33-34,37,39,41-48,50-79,87-91,93-110H,14,16-23,25-32H2,1-9H3/b15-11+/t33-,34-,37-,39+,41+,42+,43+,44+,45+,46+,47+,48-,50-,51-,52-,53+,54+,55+,56+,57-,58-,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73-,74-,75-,76-,77-,78-,79-,82-,83-,84+,85+,86-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322760
(CHEMBL1171257 | clematernoside B)Show SMILES COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)C6(C)C)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)[C@@H]2O)cc1O |r,t:63| Show InChI InChI=1S/C86H132O42/c1-33-50(93)56(99)61(104)74(115-33)124-67-42(28-88)118-72(63(106)58(67)101)113-31-44-53(96)57(100)62(105)76(121-44)128-80(110)86-23-21-81(3,4)26-37(86)36-13-15-47-83(7)19-18-48(82(5,6)46(83)17-20-85(47,9)84(36,8)22-24-86)122-79-71(52(95)39(91)30-112-79)127-77-65(108)69(51(94)34(2)116-77)126-73-60(103)54(97)45(32-114-73)120-75-64(107)59(102)68(43(29-89)119-75)125-78-66(109)70(55(98)41(27-87)117-78)123-49(92)16-12-35-11-14-40(111-10)38(90)25-35/h11-14,16,25,33-34,37,39,41-48,50-79,87-91,93-109H,15,17-24,26-32H2,1-10H3/b16-12+/t33-,34-,37-,39-,41+,42+,43+,44+,45+,46-,47+,48-,50-,51-,52-,53+,54+,55+,56+,57-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70-,71+,72+,73-,74-,75-,76-,77-,78-,79-,83-,84+,85+,86-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322763
(CHEMBL1171446 | clematernoside E)Show SMILES COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)C6(C)C)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O |r,t:57| Show InChI InChI=1S/C98H152O51/c1-35-54(105)62(113)69(120)82(133-35)130-32-47-58(109)64(115)71(122)87(140-47)147-79-61(112)44(28-99)136-91(81(79)143-53(104)17-13-38-12-15-43(128-11)41(102)26-38)145-77-46(30-101)138-86(74(125)67(77)118)139-49-34-132-84(68(119)60(49)111)146-78-56(107)37(3)135-89(75(78)126)148-80-57(108)42(103)31-129-90(80)142-52-19-20-95(8)50(94(52,6)7)18-21-97(10)51(95)16-14-39-40-27-93(4,5)22-24-98(40,25-23-96(39,97)9)92(127)149-88-72(123)65(116)59(110)48(141-88)33-131-83-73(124)66(117)76(45(29-100)137-83)144-85-70(121)63(114)55(106)36(2)134-85/h12-15,17,26,35-37,40,42,44-52,54-91,99-103,105-126H,16,18-25,27-34H2,1-11H3/b17-13+/t35-,36-,37-,40-,42-,44+,45+,46+,47+,48+,49+,50-,51+,52-,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64-,65-,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79-,80+,81+,82+,83+,84-,85-,86-,87-,88-,89-,90-,91-,95-,96+,97+,98-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322763
(CHEMBL1171446 | clematernoside E)Show SMILES COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)C6(C)C)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O |r,t:57| Show InChI InChI=1S/C98H152O51/c1-35-54(105)62(113)69(120)82(133-35)130-32-47-58(109)64(115)71(122)87(140-47)147-79-61(112)44(28-99)136-91(81(79)143-53(104)17-13-38-12-15-43(128-11)41(102)26-38)145-77-46(30-101)138-86(74(125)67(77)118)139-49-34-132-84(68(119)60(49)111)146-78-56(107)37(3)135-89(75(78)126)148-80-57(108)42(103)31-129-90(80)142-52-19-20-95(8)50(94(52,6)7)18-21-97(10)51(95)16-14-39-40-27-93(4,5)22-24-98(40,25-23-96(39,97)9)92(127)149-88-72(123)65(116)59(110)48(141-88)33-131-83-73(124)66(117)76(45(29-100)137-83)144-85-70(121)63(114)55(106)36(2)134-85/h12-15,17,26,35-37,40,42,44-52,54-91,99-103,105-126H,16,18-25,27-34H2,1-11H3/b17-13+/t35-,36-,37-,40-,42-,44+,45+,46+,47+,48+,49+,50-,51+,52-,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64-,65-,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79-,80+,81+,82+,83+,84-,85-,86-,87-,88-,89-,90-,91-,95-,96+,97+,98-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322756
(3-O-[(3-O-isoferuloyl)-beta-D-glucopyranosyl]-(1-4...)Show SMILES COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@]6(C)CO)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)[C@@H]2O)cc1O |r,t:63| Show InChI InChI=1S/C86H132O43/c1-33-50(94)56(100)61(105)74(116-33)125-67-42(27-88)119-72(63(107)58(67)102)114-30-44-53(97)57(101)62(106)76(122-44)129-80(111)86-22-20-81(3,4)25-37(86)36-12-14-47-82(5)18-17-48(83(6,32-90)46(82)16-19-85(47,8)84(36,7)21-23-86)123-79-71(52(96)39(92)29-113-79)128-77-65(109)69(51(95)34(2)117-77)127-73-60(104)54(98)45(31-115-73)121-75-64(108)59(103)68(43(28-89)120-75)126-78-66(110)70(55(99)41(26-87)118-78)124-49(93)15-11-35-10-13-40(112-9)38(91)24-35/h10-13,15,24,33-34,37,39,41-48,50-79,87-92,94-110H,14,16-23,25-32H2,1-9H3/b15-11+/t33-,34-,37-,39+,41+,42+,43+,44+,45+,46+,47+,48-,50-,51-,52-,53+,54+,55+,56+,57-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70-,71+,72+,73-,74-,75-,76-,77-,78-,79-,82-,83-,84+,85+,86-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322762
(CHEMBL1171445 | clematernoside D)Show SMILES COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@]6(C)CO)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O |r,t:57| Show InChI InChI=1S/C98H152O52/c1-35-54(106)62(114)69(121)82(134-35)131-31-47-58(110)64(116)71(123)87(141-47)148-79-61(113)44(27-99)137-91(81(79)144-53(105)16-12-38-11-14-43(129-10)41(103)25-38)146-77-46(29-101)139-86(74(126)67(77)119)140-49-33-133-84(68(120)60(49)112)147-78-56(108)37(3)136-89(75(78)127)149-80-57(109)42(104)30-130-90(80)143-52-18-19-94(6)50(95(52,7)34-102)17-20-97(9)51(94)15-13-39-40-26-93(4,5)21-23-98(40,24-22-96(39,97)8)92(128)150-88-72(124)65(117)59(111)48(142-88)32-132-83-73(125)66(118)76(45(28-100)138-83)145-85-70(122)63(115)55(107)36(2)135-85/h11-14,16,25,35-37,40,42,44-52,54-91,99-104,106-127H,15,17-24,26-34H2,1-10H3/b16-12+/t35-,36-,37-,40-,42-,44+,45+,46+,47+,48+,49+,50+,51+,52-,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64-,65-,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79-,80+,81+,82+,83+,84-,85-,86-,87-,88-,89-,90-,91-,94-,95-,96+,97+,98-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322761
(CHEMBL1171258 | clematernoside C)Show SMILES COc1ccc(\C=C\C(=O)O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4[C@@H](O)[C@H](C)O[C@@H](O[C@@H]5[C@@H](O)[C@@H](O)CO[C@H]5O[C@H]5CC[C@@]6(C)[C@@H](CC[C@]7(C)[C@@H]6CC=C6[C@@H]8CC(C)(C)CC[C@@]8(CC[C@@]76C)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)C5(C)C)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2O)cc1O |r,t:66| Show InChI InChI=1S/C86H132O42/c1-33-50(93)56(99)62(105)74(115-33)124-67-42(28-88)118-72(64(107)59(67)102)113-31-44-54(97)57(100)63(106)76(121-44)128-80(110)86-23-21-81(3,4)26-37(86)36-13-15-47-83(7)19-18-48(82(5,6)46(83)17-20-85(47,9)84(36,8)22-24-86)122-78-70(52(95)39(91)30-112-78)127-77-66(109)69(51(94)34(2)116-77)126-73-61(104)55(98)45(32-114-73)120-75-65(108)60(103)68(43(29-89)119-75)125-79-71(58(101)53(96)41(27-87)117-79)123-49(92)16-12-35-11-14-40(111-10)38(90)25-35/h11-14,16,25,33-34,37,39,41-48,50-79,87-91,93-109H,15,17-24,26-32H2,1-10H3/b16-12+/t33-,34-,37-,39-,41+,42+,43+,44+,45+,46-,47+,48-,50-,51-,52-,53+,54+,55+,56+,57-,58-,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73-,74-,75-,76-,77-,78-,79-,83-,84+,85+,86-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322759
(3-O-beta-D-glucopyranosyl-(1-3)-[(2-O-isoferuloyl)...)Show SMILES COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@]6(C)CO)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O |r,t:57| Show InChI InChI=1S/C92H142O48/c1-34-52(101)59(108)65(114)79(125-34)135-71-44(28-95)129-77(68(117)62(71)111)123-31-46-56(105)61(110)67(116)82(132-46)140-86(120)92-22-20-87(3,4)25-38(92)37-12-14-49-88(5)18-17-50(89(6,33-97)48(88)16-19-91(49,8)90(37,7)21-23-92)133-84-75(54(103)40(99)30-122-84)139-83-70(119)73(53(102)35(2)126-83)137-78-64(113)57(106)47(32-124-78)131-80-69(118)63(112)72(45(29-96)130-80)136-85-76(134-51(100)15-11-36-10-13-41(121-9)39(98)24-36)74(58(107)43(27-94)128-85)138-81-66(115)60(109)55(104)42(26-93)127-81/h10-13,15,24,34-35,38,40,42-50,52-85,93-99,101-119H,14,16-23,25-33H2,1-9H3/b15-11+/t34-,35-,38-,40+,42+,43+,44+,45+,46+,47+,48+,49+,50-,52-,53-,54-,55+,56+,57+,58+,59+,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74-,75+,76+,77+,78-,79-,80-,81-,82-,83-,84-,85-,88-,89-,90+,91+,92-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322757
(3-O-[(6-O-isoferuloyl)-beta-D-glucopyranosyl]-(1-4...)Show SMILES COc1ccc(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@]6(C)CO)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1O |r,t:59| Show InChI InChI=1S/C86H132O43/c1-33-50(93)56(99)62(105)74(117-33)125-68-41(26-87)119-72(65(108)59(68)102)115-30-44-54(97)58(101)64(107)77(123-44)129-80(111)86-22-20-81(3,4)25-37(86)36-12-14-47-82(5)18-17-48(83(6,32-89)46(82)16-19-85(47,8)84(36,7)21-23-86)124-79-71(52(95)39(91)28-114-79)128-78-67(110)70(51(94)34(2)118-78)127-73-61(104)55(98)45(31-116-73)121-75-66(109)60(103)69(42(27-88)120-75)126-76-63(106)57(100)53(96)43(122-76)29-113-49(92)15-11-35-10-13-40(112-9)38(90)24-35/h10-13,15,24,33-34,37,39,41-48,50-79,87-91,93-110H,14,16-23,25-32H2,1-9H3/b15-11+/t33-,34-,37-,39+,41+,42+,43+,44+,45+,46+,47+,48-,50-,51-,52-,53+,54+,55+,56+,57-,58-,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73-,74-,75-,76-,77-,78-,79-,82-,83-,84+,85+,86-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322762
(CHEMBL1171445 | clematernoside D)Show SMILES COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@@H](O)CO[C@H]6O[C@H]6CC[C@@]7(C)[C@@H](CC[C@]8(C)[C@@H]7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@]6(C)CO)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O |r,t:57| Show InChI InChI=1S/C98H152O52/c1-35-54(106)62(114)69(121)82(134-35)131-31-47-58(110)64(116)71(123)87(141-47)148-79-61(113)44(27-99)137-91(81(79)144-53(105)16-12-38-11-14-43(129-10)41(103)25-38)146-77-46(29-101)139-86(74(126)67(77)119)140-49-33-133-84(68(120)60(49)112)147-78-56(108)37(3)136-89(75(78)127)149-80-57(109)42(104)30-130-90(80)143-52-18-19-94(6)50(95(52,7)34-102)17-20-97(9)51(94)15-13-39-40-26-93(4,5)21-23-98(40,24-22-96(39,97)8)92(128)150-88-72(124)65(117)59(111)48(142-88)32-132-83-73(125)66(118)76(45(28-100)138-83)145-85-70(122)63(115)55(107)36(2)135-85/h11-14,16,25,35-37,40,42,44-52,54-91,99-104,106-127H,15,17-24,26-34H2,1-10H3/b16-12+/t35-,36-,37-,40-,42-,44+,45+,46+,47+,48+,49+,50+,51+,52-,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64-,65-,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79-,80+,81+,82+,83+,84-,85-,86-,87-,88-,89-,90-,91-,94-,95-,96+,97+,98-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322753
(CHEMBL1171448 | cirensenoside O)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C48H78O17/c1-22-30(51)32(53)35(56)40(61-22)64-38-25(20-49)62-39(37(58)34(38)55)60-21-26-31(52)33(54)36(57)41(63-26)65-42(59)48-17-15-43(2,3)19-24(48)23-9-10-28-45(6)13-12-29(50)44(4,5)27(45)11-14-47(28,8)46(23,7)16-18-48/h9,22,24-41,49-58H,10-21H2,1-8H3/t22-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,45-,46+,47+,48-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50259663
(3beta-O-[alpha-L-rhamnopyranosyl-(1->2)alpha-L-ara...)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C59H96O25/c1-24-34(62)38(66)42(70)49(77-24)82-46-29(21-60)79-48(45(73)41(46)69)76-23-30-37(65)40(68)44(72)51(80-30)84-53(74)59-18-16-54(3,4)20-27(59)26-10-11-32-56(7)14-13-33(55(5,6)31(56)12-15-58(32,9)57(26,8)17-19-59)81-52-47(36(64)28(61)22-75-52)83-50-43(71)39(67)35(63)25(2)78-50/h10,24-25,27-52,60-73H,11-23H2,1-9H3/t24-,25-,27-,28-,29+,30+,31-,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,56-,57+,58+,59-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322746
(CHEMBL1171453 | clematichinenoside B)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C70H114O35/c1-26-38(75)44(81)49(86)59(95-26)102-54-32(21-72)98-57(52(89)47(54)84)93-23-33-42(79)46(83)51(88)61(100-33)105-64(91)70-17-15-65(3,4)19-29(70)28-9-10-36-66(5)13-12-37(67(6,25-73)35(66)11-14-69(36,8)68(28,7)16-18-70)101-63-56(40(77)30(74)22-92-63)104-62-53(90)55(39(76)27(2)96-62)103-58-48(85)43(80)34(24-94-58)99-60-50(87)45(82)41(78)31(20-71)97-60/h9,26-27,29-63,71-90H,10-25H2,1-8H3/t26-,27-,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-,39-,40-,41+,42+,43+,44+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61-,62-,63-,66-,67-,68+,69+,70-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322744
(CHEMBL1171454 | clematomandshurica saponin C)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H]9O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C76H124O39/c1-27-40(81)46(87)52(93)64(103-27)111-58-33(22-78)106-62(55(96)49(58)90)101-25-35-44(85)48(89)54(95)67(109-35)115-70(99)76-18-16-71(3,4)20-30(76)29-10-11-38-73(7)14-13-39(72(5,6)37(73)12-15-75(38,9)74(29,8)17-19-76)110-69-61(42(83)31(80)24-100-69)114-68-57(98)60(41(82)28(2)104-68)113-63-51(92)45(86)36(26-102-63)108-65-56(97)50(91)59(34(23-79)107-65)112-66-53(94)47(88)43(84)32(21-77)105-66/h10,27-28,30-69,77-98H,11-26H2,1-9H3/t27-,28-,30-,31-,32+,33+,34+,35+,36+,37-,38+,39-,40-,41-,42-,43+,44+,45+,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,73-,74+,75+,76-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322744
(CHEMBL1171454 | clematomandshurica saponin C)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H]9O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C76H124O39/c1-27-40(81)46(87)52(93)64(103-27)111-58-33(22-78)106-62(55(96)49(58)90)101-25-35-44(85)48(89)54(95)67(109-35)115-70(99)76-18-16-71(3,4)20-30(76)29-10-11-38-73(7)14-13-39(72(5,6)37(73)12-15-75(38,9)74(29,8)17-19-76)110-69-61(42(83)31(80)24-100-69)114-68-57(98)60(41(82)28(2)104-68)113-63-51(92)45(86)36(26-102-63)108-65-56(97)50(91)59(34(23-79)107-65)112-66-53(94)47(88)43(84)32(21-77)105-66/h10,27-28,30-69,77-98H,11-26H2,1-9H3/t27-,28-,30-,31-,32+,33+,34+,35+,36+,37-,38+,39-,40-,41-,42-,43+,44+,45+,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,73-,74+,75+,76-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322752
(3beta,23-dihydroxyolean-12-en-28-oic acid O-alpha-...)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C48H78O18/c1-22-30(52)32(54)35(57)40(62-22)65-38-25(19-49)63-39(37(59)34(38)56)61-20-26-31(53)33(55)36(58)41(64-26)66-42(60)48-16-14-43(2,3)18-24(48)23-8-9-28-44(4)12-11-29(51)45(5,21-50)27(44)10-13-47(28,7)46(23,6)15-17-48/h8,22,24-41,49-59H,9-21H2,1-7H3/t22-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322750
(3beta-[(alpha-L-arabinopyranosyl)oxy]-23-hydroxyol...)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322751
(CHEMBL1171250 | ciwujianoside C3)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C53H86O21/c1-23-32(56)35(59)39(63)45(69-23)73-42-27(20-54)70-43(41(65)37(42)61)68-22-28-34(58)36(60)40(64)46(71-28)74-47(66)53-17-15-48(2,3)19-25(53)24-9-10-30-50(6)13-12-31(72-44-38(62)33(57)26(55)21-67-44)49(4,5)29(50)11-14-52(30,8)51(24,7)16-18-53/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,50-,51+,52+,53-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322751
(CHEMBL1171250 | ciwujianoside C3)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C53H86O21/c1-23-32(56)35(59)39(63)45(69-23)73-42-27(20-54)70-43(41(65)37(42)61)68-22-28-34(58)36(60)40(64)46(71-28)74-47(66)53-17-15-48(2,3)19-25(53)24-9-10-30-50(6)13-12-31(72-44-38(62)33(57)26(55)21-67-44)49(4,5)29(50)11-14-52(30,8)51(24,7)16-18-53/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,50-,51+,52+,53-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322749
(CHEMBL1171449 | kizuta saponin K12)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)C(C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(20-60)80-48(45(74)41(46)70)77-22-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(3,4)19-27(59)26-9-10-32-55(5)13-12-33(56(6,23-61)31(55)11-14-58(32,8)57(26,7)16-18-59)82-52-47(36(65)28(62)21-76-52)84-50-43(72)39(68)35(64)25(2)79-50/h9,24-25,27-52,60-74H,10-23H2,1-8H3/t24-,25-,27-,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,55-,56?,57+,58+,59-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322753
(CHEMBL1171448 | cirensenoside O)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C48H78O17/c1-22-30(51)32(53)35(56)40(61-22)64-38-25(20-49)62-39(37(58)34(38)55)60-21-26-31(52)33(54)36(57)41(63-26)65-42(59)48-17-15-43(2,3)19-24(48)23-9-10-28-45(6)13-12-29(50)44(4,5)27(45)11-14-47(28,8)46(23,7)16-18-48/h9,22,24-41,49-58H,10-21H2,1-8H3/t22-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,45-,46+,47+,48-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322748
(CHEMBL1171450 | huzhangoside B)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C64H104O29/c1-25-36(68)41(73)45(77)54(85-25)90-49-31(21-65)87-52(47(79)43(49)75)84-24-32-40(72)42(74)46(78)55(88-32)93-58(81)64-18-16-59(3,4)20-28(64)27-10-11-34-61(7)14-13-35(60(5,6)33(61)12-15-63(34,9)62(27,8)17-19-64)89-57-51(39(71)30(67)23-83-57)92-56-48(80)50(37(69)26(2)86-56)91-53-44(76)38(70)29(66)22-82-53/h10,25-26,28-57,65-80H,11-24H2,1-9H3/t25-,26-,28-,29+,30-,31+,32+,33-,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,61-,62+,63+,64-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322747
(CHEMBL1171451 | huzhangoside D)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322765
(3-O-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyrano...)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C76H124O40/c1-27-40(82)46(88)52(94)64(104-27)112-58-33(21-78)107-62(55(97)49(58)91)102-24-35-44(86)48(90)54(96)67(110-35)116-70(100)76-17-15-71(3,4)19-30(76)29-9-10-38-72(5)13-12-39(73(6,26-80)37(72)11-14-75(38,8)74(29,7)16-18-76)111-69-61(42(84)31(81)23-101-69)115-68-57(99)60(41(83)28(2)105-68)114-63-51(93)45(87)36(25-103-63)109-65-56(98)50(92)59(34(22-79)108-65)113-66-53(95)47(89)43(85)32(20-77)106-66/h9,27-28,30-69,77-99H,10-26H2,1-8H3/t27-,28-,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45+,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,72-,73-,74+,75+,76-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50259663
(3beta-O-[alpha-L-rhamnopyranosyl-(1->2)alpha-L-ara...)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C59H96O25/c1-24-34(62)38(66)42(70)49(77-24)82-46-29(21-60)79-48(45(73)41(46)69)76-23-30-37(65)40(68)44(72)51(80-30)84-53(74)59-18-16-54(3,4)20-27(59)26-10-11-32-56(7)14-13-33(55(5,6)31(56)12-15-58(32,9)57(26,8)17-19-59)81-52-47(36(64)28(61)22-75-52)83-50-43(71)39(67)35(63)25(2)78-50/h10,24-25,27-52,60-73H,11-23H2,1-9H3/t24-,25-,27-,28-,29+,30+,31-,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,56-,57+,58+,59-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322765
(3-O-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyrano...)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C76H124O40/c1-27-40(82)46(88)52(94)64(104-27)112-58-33(21-78)107-62(55(97)49(58)91)102-24-35-44(86)48(90)54(96)67(110-35)116-70(100)76-17-15-71(3,4)19-30(76)29-9-10-38-72(5)13-12-39(73(6,26-80)37(72)11-14-75(38,8)74(29,7)16-18-76)111-69-61(42(84)31(81)23-101-69)115-68-57(99)60(41(83)28(2)105-68)114-63-51(93)45(87)36(25-103-63)109-65-56(98)50(92)59(34(22-79)108-65)113-66-53(95)47(89)43(85)32(20-77)106-66/h9,27-28,30-69,77-99H,10-26H2,1-8H3/t27-,28-,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45+,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,72-,73-,74+,75+,76-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322750
(3beta-[(alpha-L-arabinopyranosyl)oxy]-23-hydroxyol...)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322745
(CHEMBL1171452 | clematichinenoside C)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H]9O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C70H114O34/c1-26-38(74)44(80)49(85)59(94-26)101-54-32(22-72)97-57(52(88)47(54)83)92-24-33-42(78)46(82)51(87)61(99-33)104-64(90)70-18-16-65(3,4)20-29(70)28-10-11-36-67(7)14-13-37(66(5,6)35(67)12-15-69(36,9)68(28,8)17-19-70)100-63-56(40(76)30(73)23-91-63)103-62-53(89)55(39(75)27(2)95-62)102-58-48(84)43(79)34(25-93-58)98-60-50(86)45(81)41(77)31(21-71)96-60/h10,26-27,29-63,71-89H,11-25H2,1-9H3/t26-,27-,29-,30-,31+,32+,33+,34+,35-,36+,37-,38-,39-,40-,41+,42+,43+,44+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61-,62-,63-,67-,68+,69+,70-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322747
(CHEMBL1171451 | huzhangoside D)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322748
(CHEMBL1171450 | huzhangoside B)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C64H104O29/c1-25-36(68)41(73)45(77)54(85-25)90-49-31(21-65)87-52(47(79)43(49)75)84-24-32-40(72)42(74)46(78)55(88-32)93-58(81)64-18-16-59(3,4)20-28(64)27-10-11-34-61(7)14-13-35(60(5,6)33(61)12-15-63(34,9)62(27,8)17-19-64)89-57-51(39(71)30(67)23-83-57)92-56-48(80)50(37(69)26(2)86-56)91-53-44(76)38(70)29(66)22-82-53/h10,25-26,28-57,65-80H,11-24H2,1-9H3/t25-,26-,28-,29+,30-,31+,32+,33-,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,61-,62+,63+,64-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322752
(3beta,23-dihydroxyolean-12-en-28-oic acid O-alpha-...)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C48H78O18/c1-22-30(52)32(54)35(57)40(62-22)65-38-25(19-49)63-39(37(59)34(38)56)61-20-26-31(53)33(55)36(58)41(64-26)66-42(60)48-16-14-43(2,3)18-24(48)23-8-9-28-44(4)12-11-29(51)45(5,21-50)27(44)10-13-47(28,7)46(23,6)15-17-48/h8,22,24-41,49-59H,9-21H2,1-7H3/t22-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322749
(CHEMBL1171449 | kizuta saponin K12)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)C(C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(20-60)80-48(45(74)41(46)70)77-22-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(3,4)19-27(59)26-9-10-32-55(5)13-12-33(56(6,23-61)31(55)11-14-58(32,8)57(26,7)16-18-59)82-52-47(36(65)28(62)21-76-52)84-50-43(72)39(68)35(64)25(2)79-50/h9,24-25,27-52,60-74H,10-23H2,1-8H3/t24-,25-,27-,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,55-,56?,57+,58+,59-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322745
(CHEMBL1171452 | clematichinenoside C)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H]9O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C70H114O34/c1-26-38(74)44(80)49(85)59(94-26)101-54-32(22-72)97-57(52(88)47(54)83)92-24-33-42(78)46(82)51(87)61(99-33)104-64(90)70-18-16-65(3,4)20-29(70)28-10-11-36-67(7)14-13-37(66(5,6)35(67)12-15-69(36,9)68(28,8)17-19-70)100-63-56(40(76)30(73)23-91-63)103-62-53(89)55(39(75)27(2)95-62)102-58-48(84)43(79)34(25-93-58)98-60-50(86)45(81)41(77)31(21-71)96-60/h10,26-27,29-63,71-89H,11-25H2,1-9H3/t26-,27-,29-,30-,31+,32+,33+,34+,35-,36+,37-,38-,39-,40-,41+,42+,43+,44+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61-,62-,63-,67-,68+,69+,70-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322746
(CHEMBL1171453 | clematichinenoside B)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |r,t:28| Show InChI InChI=1S/C70H114O35/c1-26-38(75)44(81)49(86)59(95-26)102-54-32(21-72)98-57(52(89)47(54)84)93-23-33-42(79)46(83)51(88)61(100-33)105-64(91)70-17-15-65(3,4)19-29(70)28-9-10-36-66(5)13-12-37(67(6,25-73)35(66)11-14-69(36,8)68(28,7)16-18-70)101-63-56(40(77)30(74)22-92-63)104-62-53(90)55(39(76)27(2)96-62)103-58-48(85)43(80)34(24-94-58)99-60-50(87)45(82)41(78)31(20-71)97-60/h9,26-27,29-63,71-90H,10-25H2,1-8H3/t26-,27-,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-,39-,40-,41+,42+,43+,44+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61-,62-,63-,66-,67-,68+,69+,70-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Inhibition of COX1 by microplate reader |
J Nat Prod 73: 1234-9 (2010)
Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3 |
More data for this
Ligand-Target Pair | |
Search and Browse
