Found 29 hits of ic50 for UniProtKB: P08263 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50186225
(3-((3-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phen...)Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCCC(=O)NCc2cc(CNC(=O)CCNC(=O)COc3ccc(C(=O)C(C)=C)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl Show InChI InChI=1S/C40H41Cl4N5O9/c1-5-22(4)39(55)27-7-9-29(37(44)35(27)42)58-20-33(53)47-13-11-31(51)49-18-24-14-23(15-25(16-24)40(45)56)17-48-30(50)10-12-46-32(52)19-57-28-8-6-26(34(41)36(28)43)38(54)21(2)3/h6-9,14-16H,2,4-5,10-13,17-20H2,1,3H3,(H2,45,56)(H,46,52)(H,47,53)(H,48,50)(H,49,51) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntrix Biosytems
Curated by ChEMBL
| Assay Description
Inhibition of GST A1-1 |
Bioorg Med Chem Lett 16: 3780-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50186230
(3-((4-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phen...)Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCCCC(=O)NCc2cc(CNC(=O)CCCNC(=O)COc3ccc(C(=O)C(C)=C)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl Show InChI InChI=1S/C42H45Cl4N5O9/c1-5-24(4)41(57)29-11-13-31(39(46)37(29)44)60-22-35(55)49-15-7-9-33(53)51-20-26-16-25(17-27(18-26)42(47)58)19-50-32(52)8-6-14-48-34(54)21-59-30-12-10-28(36(43)38(30)45)40(56)23(2)3/h10-13,16-18H,2,4-9,14-15,19-22H2,1,3H3,(H2,47,58)(H,48,54)(H,49,55)(H,50,52)(H,51,53) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 14.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntrix Biosytems
Curated by ChEMBL
| Assay Description
Inhibition of GST A1-1 |
Bioorg Med Chem Lett 16: 3780-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50186229
(3,5-bis((2-(2-(2,3-dichloro-4-(2-methylenebutanoyl...)Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCC(=O)NCc2cc(CNC(=O)CNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl Show InChI InChI=1S/C39H39Cl4N5O9/c1-5-20(3)37(53)25-7-9-27(35(42)33(25)40)56-18-31(51)47-16-29(49)45-14-22-11-23(13-24(12-22)39(44)55)15-46-30(50)17-48-32(52)19-57-28-10-8-26(34(41)36(28)43)38(54)21(4)6-2/h7-13H,3-6,14-19H2,1-2H3,(H2,44,55)(H,45,49)(H,46,50)(H,47,51)(H,48,52) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntrix Biosytems
Curated by ChEMBL
| Assay Description
Inhibition of GST A1-1 |
Bioorg Med Chem Lett 16: 3780-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50186228
(3,5-bis((2-(2,3-dichloro-4-(2-methylenebutanoyl)ph...)Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCc2cc(CNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl Show InChI InChI=1S/C35H33Cl4N3O7/c1-5-18(3)33(45)23-7-9-25(31(38)29(23)36)48-16-27(43)41-14-20-11-21(13-22(12-20)35(40)47)15-42-28(44)17-49-26-10-8-24(30(37)32(26)39)34(46)19(4)6-2/h7-13H,3-6,14-17H2,1-2H3,(H2,40,47)(H,41,43)(H,42,44) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntrix Biosytems
Curated by ChEMBL
| Assay Description
Inhibition of GST A1-1 |
Bioorg Med Chem Lett 16: 3780-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50186223
(3-((7-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phen...)Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCCCCCC(=O)NCc2cc(CNC(=O)CCCCCNC(=O)COc3ccc(C(=O)C(C)=C)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl Show InChI InChI=1S/C46H53Cl4N5O9/c1-5-28(4)45(61)33-15-17-35(43(50)41(33)48)64-26-39(59)53-19-11-7-9-13-37(57)55-24-30-20-29(21-31(22-30)46(51)62)23-54-36(56)12-8-6-10-18-52-38(58)25-63-34-16-14-32(40(47)42(34)49)44(60)27(2)3/h14-17,20-22H,2,4-13,18-19,23-26H2,1,3H3,(H2,51,62)(H,52,58)(H,53,59)(H,54,56)(H,55,57) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntrix Biosytems
Curated by ChEMBL
| Assay Description
Inhibition of GST A1-1 |
Bioorg Med Chem Lett 16: 3780-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50186227
(3-((8-(2-(2,3-dichloro-4-(1-hydroxy-2-methylenebut...)Show SMILES CCC(=C)C(O)c1ccc(OCC(=O)NCCCCCCCC(=O)NCc2cc(CNC(=O)CCCCCCCCNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl Show InChI InChI=1S/C52H67Cl4N5O9/c1-5-33(3)50(66)38-20-22-40(48(55)46(38)53)69-31-44(64)58-24-16-12-8-7-10-14-18-42(62)60-29-35-26-36(28-37(27-35)52(57)68)30-61-43(63)19-15-11-9-13-17-25-59-45(65)32-70-41-23-21-39(47(54)49(41)56)51(67)34(4)6-2/h20-23,26-28,51,67H,3-19,24-25,29-32H2,1-2H3,(H2,57,68)(H,58,64)(H,59,65)(H,60,62)(H,61,63) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 52.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntrix Biosytems
Curated by ChEMBL
| Assay Description
Inhibition of GST A1-1 |
Bioorg Med Chem Lett 16: 3780-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50186224
(3-({4-[4-(4-{2-[4-(but-1-en-2-yl)-2,3-dichlorophen...)Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)NCc2cc(CNC(=O)CCCNC(=O)CCCNC(=O)CCCNC(=O)COc3ccc(C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl Show InChI InChI=1S/C58H75Cl4N9O12/c1-5-36(3)41-19-21-43(55(61)53(41)59)82-34-51(78)68-27-9-15-47(74)64-23-7-13-45(72)66-25-11-17-49(76)70-32-38-29-39(31-40(30-38)58(63)81)33-71-50(77)18-12-26-67-46(73)14-8-24-65-48(75)16-10-28-69-52(79)35-83-44-22-20-42(54(60)56(44)62)57(80)37(4)6-2/h19-22,29-31H,3-18,23-28,32-35H2,1-2H3,(H2,63,81)(H,64,74)(H,65,75)(H,66,72)(H,67,73)(H,68,78)(H,69,79)(H,70,76)(H,71,77) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 98.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntrix Biosytems
Curated by ChEMBL
| Assay Description
Inhibition of GST A1-1 |
Bioorg Med Chem Lett 16: 3780-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50601925
(CHEMBL5178537)Show SMILES CCCCCCCCCCCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(=O)P(O)(O)=O)c4OCCCCCCCCCCCC)c3O)C(=O)P(O)(O)=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129019
BindingDB Entry DOI: 10.7270/Q2D222Q1 |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50601924
(CHEMBL5169380)Show SMILES CCCCCCCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(=O)P(O)(O)=O)c4OCCCCCCCC)c3O)C(=O)P(O)(O)=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129019
BindingDB Entry DOI: 10.7270/Q2D222Q1 |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50601925
(CHEMBL5178537)Show SMILES CCCCCCCCCCCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(=O)P(O)(O)=O)c4OCCCCCCCCCCCC)c3O)C(=O)P(O)(O)=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129019
BindingDB Entry DOI: 10.7270/Q2D222Q1 |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50054198
(CHEMBL3310888)Show InChI InChI=1S/C13H9BrO3/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,15-16H | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50054194
(CHEMBL3310886)Show InChI InChI=1S/C19H14O3/c20-17-9-5-4-8-15(17)19(22)16-12-14(10-11-18(16)21)13-6-2-1-3-7-13/h1-12,20-21H | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50054205
(CHEMBL3310889)Show InChI InChI=1S/C15H13BrN2O3/c1-9(19)17-18-15(11-4-2-3-5-13(11)20)12-8-10(16)6-7-14(12)21/h2-8,20-21H,1H3,(H,17,19)/b18-15- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Agricultural University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of human GSTA1 activity assessed as conjugation between CDNB and GSH |
Bioorg Med Chem 22: 3957-70 (2014)
Article DOI: 10.1016/j.bmc.2014.06.007
BindingDB Entry DOI: 10.7270/Q28P625B |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50054196
(CHEMBL3310887)Show SMILES [#8]-c1ccccc1\[#6](=[#7]\[#7]-[#6](=O)-c1ccccc1)-c1ccccc1-[#8] Show InChI InChI=1S/C20H16N2O3/c23-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)24)21-22-20(25)14-8-2-1-3-9-14/h1-13,23-24H,(H,22,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50615198
(CHEMBL5289853) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50054198
(CHEMBL3310888)Show InChI InChI=1S/C13H9BrO3/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,15-16H | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Agricultural University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of human GSTA1 activity assessed as conjugation between CDNB and GSH |
Bioorg Med Chem 22: 3957-70 (2014)
Article DOI: 10.1016/j.bmc.2014.06.007
BindingDB Entry DOI: 10.7270/Q28P625B |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50601924
(CHEMBL5169380)Show SMILES CCCCCCCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(=O)P(O)(O)=O)c4OCCCCCCCC)c3O)C(=O)P(O)(O)=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129019
BindingDB Entry DOI: 10.7270/Q2D222Q1 |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50054196
(CHEMBL3310887)Show SMILES [#8]-c1ccccc1\[#6](=[#7]\[#7]-[#6](=O)-c1ccccc1)-c1ccccc1-[#8] Show InChI InChI=1S/C20H16N2O3/c23-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)24)21-22-20(25)14-8-2-1-3-9-14/h1-13,23-24H,(H,22,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Agricultural University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of human GSTA1 activity assessed as conjugation between CDNB and GSH |
Bioorg Med Chem 22: 3957-70 (2014)
Article DOI: 10.1016/j.bmc.2014.06.007
BindingDB Entry DOI: 10.7270/Q28P625B |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50601923
(CHEMBL5174343)Show SMILES CCCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(=O)P(O)(O)=O)c4OCCCC)c3O)C(=O)P(O)(O)=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129019
BindingDB Entry DOI: 10.7270/Q2D222Q1 |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50601922
(CHEMBL5199600)Show SMILES CCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(=O)P(O)(O)=O)c4OCCC)c3O)C(=O)P(O)(O)=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129019
BindingDB Entry DOI: 10.7270/Q2D222Q1 |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50601926
(CHEMBL5184218)Show SMILES CCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(O)(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O)C(=O)P(O)(O)=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129019
BindingDB Entry DOI: 10.7270/Q2D222Q1 |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50054194
(CHEMBL3310886)Show InChI InChI=1S/C19H14O3/c20-17-9-5-4-8-15(17)19(22)16-12-14(10-11-18(16)21)13-6-2-1-3-7-13/h1-12,20-21H | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Agricultural University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of human GSTA1 activity assessed as conjugation between CDNB and GSH |
Bioorg Med Chem 22: 3957-70 (2014)
Article DOI: 10.1016/j.bmc.2014.06.007
BindingDB Entry DOI: 10.7270/Q28P625B |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50601921
(CHEMBL5203780)Show SMILES CCCOc1c2Cc3cccc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(=O)P(O)(O)=O)c4OCCC)c3O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129019
BindingDB Entry DOI: 10.7270/Q2D222Q1 |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50601921
(CHEMBL5203780)Show SMILES CCCOc1c2Cc3cccc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(=O)P(O)(O)=O)c4OCCC)c3O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129019
BindingDB Entry DOI: 10.7270/Q2D222Q1 |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50186231
((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...)Show InChI InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntrix Biosytems
Curated by ChEMBL
| Assay Description
Inhibition of GST A1-1 |
Bioorg Med Chem Lett 16: 3780-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50601926
(CHEMBL5184218)Show SMILES CCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(O)(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O)C(=O)P(O)(O)=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129019
BindingDB Entry DOI: 10.7270/Q2D222Q1 |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50601922
(CHEMBL5199600)Show SMILES CCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(=O)P(O)(O)=O)c4OCCC)c3O)C(=O)P(O)(O)=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129019
BindingDB Entry DOI: 10.7270/Q2D222Q1 |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50601923
(CHEMBL5174343)Show SMILES CCCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(=O)P(O)(O)=O)c4OCCCC)c3O)C(=O)P(O)(O)=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129019
BindingDB Entry DOI: 10.7270/Q2D222Q1 |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50186226
(3-((4-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phen...)Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCCCC(=O)NCc2cccc(c2)C(N)=O)c(Cl)c1Cl Show InChI InChI=1S/C25H27Cl2N3O5/c1-3-15(2)24(33)18-9-10-19(23(27)22(18)26)35-14-21(32)29-11-5-8-20(31)30-13-16-6-4-7-17(12-16)25(28)34/h4,6-7,9-10,12H,2-3,5,8,11,13-14H2,1H3,(H2,28,34)(H,29,32)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntrix Biosytems
Curated by ChEMBL
| Assay Description
Inhibition of GST A1-1 |
Bioorg Med Chem Lett 16: 3780-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV |
More data for this
Ligand-Target Pair | |
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