Found 31 hits with Last Name = 'parker' and Initial = 'tt' 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 |
|---|
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50030474
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50150998
(((4-Methoxy-phenoxycarbonyl)-{4-[2-(5-methyl-2-phe...)Show SMILES COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50085045
(5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-...)Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,26-27H,9-12H2,1-4H3,(H,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Mitochondrial pyruvate carrier 2
(Homo sapiens) | BDBM228129
(US9562012, mitoglitazone)Show SMILES CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24) | UniProtKB/SwissProt
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PC sid
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UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Displacement of photoprobe from MPC2 (unknown origin) |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Mitochondrial pyruvate carrier 2
(Homo sapiens) | BDBM50466687
(CHEMBL4291468)Show SMILES COc1cccc(c1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H17NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,17H,9,11H2,1H3,(H,20,22,23) | UniProtKB/SwissProt
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PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Displacement of photoprobe from MPC2 (unknown origin) |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50103521
(Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...)Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 1.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50466688
(CHEMBL4276678)Show SMILES COc1cccc(c1)[C@H](O)COc1ccc(CC2SC(=O)NC2=O)cc1 |r| Show InChI InChI=1S/C19H19NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,16-17,21H,9,11H2,1H3,(H,20,22,23)/t16-,17?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50466690
(CHEMBL4293295)Show SMILES CCc1ccc(nc1)[C@H](O)COc1ccc(CC2SC(=O)NC2=O)cc1 |r| Show InChI InChI=1S/C19H20N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,16-17,22H,2,9,11H2,1H3,(H,21,23,24)/t16-,17?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50103636
(ADD-3878 | CHEBI:64227 | Ciglitazone | U-63287)Show InChI InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50313783
(CHEMBL1092799 | N-(4-chlorobenzyl)-1-methyl-9-(mor...)Show SMILES CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(CN4CCOCC4)cc1c23 Show InChI InChI=1S/C25H25ClN4O4/c1-28-21-11-17(13-29-6-8-34-9-7-29)10-19-23(21)30(15-22(28)31)14-20(24(19)32)25(33)27-12-16-2-4-18(26)5-3-16/h2-5,10-11,14H,6-9,12-13,15H2,1H3,(H,27,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNA polymerase alpha expressed in baculovirus infected SF9 cells after 12 mins by scintillation proximity assay |
Bioorg Med Chem Lett 20: 1994-2000 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.094
BindingDB Entry DOI: 10.7270/Q26Q1XDN |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50313784
((R)-9-(((2-(benzofuran-2-yl)-2-hydroxyethyl)(methy...)Show SMILES CN(C[C@@H](O)c1cc2ccccc2o1)Cc1cc2N(C)C(=O)Cn3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)c(c1)c23 |r| Show InChI InChI=1S/C32H29ClN4O5/c1-35(17-26(38)28-13-21-5-3-4-6-27(21)42-28)15-20-11-23-30-25(12-20)36(2)29(39)18-37(30)16-24(31(23)40)32(41)34-14-19-7-9-22(33)10-8-19/h3-13,16,26,38H,14-15,17-18H2,1-2H3,(H,34,41)/t26-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNA polymerase alpha expressed in baculovirus infected SF9 cells after 12 mins by scintillation proximity assay |
Bioorg Med Chem Lett 20: 1994-2000 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.094
BindingDB Entry DOI: 10.7270/Q26Q1XDN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50466687
(CHEMBL4291468)Show SMILES COc1cccc(c1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H17NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,17H,9,11H2,1H3,(H,20,22,23) | PDB
KEGG
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PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50466693
(CHEMBL4288064)Show SMILES CCc1ccc(cc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C20H19NO4S/c1-2-13-3-7-15(8-4-13)17(22)12-25-16-9-5-14(6-10-16)11-18-19(23)21-20(24)26-18/h3-10,18H,2,11-12H2,1H3,(H,21,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50466691
(CHEMBL4280830)Show InChI InChI=1S/C18H15NO4S/c20-15(13-4-2-1-3-5-13)11-23-14-8-6-12(7-9-14)10-16-17(21)19-18(22)24-16/h1-9,16H,10-11H2,(H,19,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50466687
(CHEMBL4291468)Show SMILES COc1cccc(c1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H17NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,17H,9,11H2,1H3,(H,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50466687
(CHEMBL4291468)Show SMILES COc1cccc(c1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H17NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,17H,9,11H2,1H3,(H,20,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM228129
(US9562012, mitoglitazone)Show SMILES CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM228129
(US9562012, mitoglitazone)Show SMILES CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50466687
(CHEMBL4291468)Show SMILES COc1cccc(c1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H17NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,17H,9,11H2,1H3,(H,20,22,23) | PDB
MMDB
Reactome pathway
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UniChem
| Article
PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM228129
(US9562012, mitoglitazone)Show SMILES CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24) | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50466689
(CHEMBL4284250)Show SMILES CCc1ccc(nc1)[C@@H](O)COc1ccc(CC2SC(=O)NC2=O)cc1 |r| Show InChI InChI=1S/C19H20N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,16-17,22H,2,9,11H2,1H3,(H,21,23,24)/t16-,17?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50466692
(CHEMBL4286980)Show SMILES COc1cccc(c1)[C@@H](O)COc1ccc(CC2SC(=O)NC2=O)cc1 |r| Show InChI InChI=1S/C19H19NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,16-17,21H,9,11H2,1H3,(H,20,22,23)/t16-,17?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM228129
(US9562012, mitoglitazone)Show SMILES CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50466688
(CHEMBL4276678)Show SMILES COc1cccc(c1)[C@H](O)COc1ccc(CC2SC(=O)NC2=O)cc1 |r| Show InChI InChI=1S/C19H19NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,16-17,21H,9,11H2,1H3,(H,20,22,23)/t16-,17?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 172 | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-DBD fused human PPARgamma ligand binding domain expressed in UAS-bla HEL 293H cells preincubated for 16 hrs followed by FRET ... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50466690
(CHEMBL4293295)Show SMILES CCc1ccc(nc1)[C@H](O)COc1ccc(CC2SC(=O)NC2=O)cc1 |r| Show InChI InChI=1S/C19H20N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,16-17,22H,2,9,11H2,1H3,(H,21,23,24)/t16-,17?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 271 | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-DBD fused human PPARgamma ligand binding domain expressed in UAS-bla HEL 293H cells preincubated for 16 hrs followed by FRET ... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM228129
(US9562012, mitoglitazone)Show SMILES CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 657 | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-DBD fused human PPARgamma ligand binding domain expressed in UAS-bla HEL 293H cells preincubated for 16 hrs followed by FRET ... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50466692
(CHEMBL4286980)Show SMILES COc1cccc(c1)[C@@H](O)COc1ccc(CC2SC(=O)NC2=O)cc1 |r| Show InChI InChI=1S/C19H19NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,16-17,21H,9,11H2,1H3,(H,20,22,23)/t16-,17?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.72E+3 | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-DBD fused human PPARgamma ligand binding domain expressed in UAS-bla HEL 293H cells preincubated for 16 hrs followed by FRET ... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50103521
(Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...)Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
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DrugBank
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Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 98 | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-DBD fused human PPARgamma ligand binding domain expressed in UAS-bla HEL 293H cells preincubated for 16 hrs followed by FRET ... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50466687
(CHEMBL4291468)Show SMILES COc1cccc(c1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H17NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,17H,9,11H2,1H3,(H,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 961 | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-DBD fused human PPARgamma ligand binding domain expressed in UAS-bla HEL 293H cells preincubated for 16 hrs followed by FRET ... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50030474
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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antibodypedia
GoogleScholar
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| Purchase
DrugBank
MCE
PC cid
PC sid
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UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-DBD fused human PPARgamma ligand binding domain expressed in UAS-bla HEL 293H cells preincubated for 16 hrs followed by FRET ... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50466689
(CHEMBL4284250)Show SMILES CCc1ccc(nc1)[C@@H](O)COc1ccc(CC2SC(=O)NC2=O)cc1 |r| Show InChI InChI=1S/C19H20N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,16-17,22H,2,9,11H2,1H3,(H,21,23,24)/t16-,17?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.74E+3 | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-DBD fused human PPARgamma ligand binding domain expressed in UAS-bla HEL 293H cells preincubated for 16 hrs followed by FRET ... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this
Ligand-Target Pair | |
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