Found 13 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 |
|---|
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50363445
(CHEMBL1945221)Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cc(CCCC(O)=O)cc2ccccc12 |r,t:9| Show InChI InChI=1S/C32H29NO9/c1-16(34)26-21(35)14-24-32(2,30(26)39)28-22(36)13-23(41-3)27(29(28)42-24)31(40)33-15-19-12-17(7-6-10-25(37)38)11-18-8-4-5-9-20(18)19/h4-5,8-9,11-14,26,36H,6-7,10,15H2,1-3H3,(H,33,40)(H,37,38)/t26?,32-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 67 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in MG-63 cells by reporter gene-based transactivation assay |
Bioorg Med Chem Lett 22: 1348-51 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.066
BindingDB Entry DOI: 10.7270/Q28S4QC5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50363435
(CHEMBL1944783)Show SMILES COCc1cc(CNC(=O)c2c3OC4=CC(=O)C(C(C)=O)C(=O)[C@@]4(C)c3c(O)cc2OC)c2ccccc2c1 |r,t:13| Show InChI InChI=1S/C30H27NO8/c1-15(32)24-20(33)12-23-30(2,28(24)35)26-21(34)11-22(38-4)25(27(26)39-23)29(36)31-13-18-10-16(14-37-3)9-17-7-5-6-8-19(17)18/h5-12,24,34H,13-14H2,1-4H3,(H,31,36)/t24?,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Partial agonist activity at human PPARgamma expressed in MG-63 cells by reporter gene-based transactivation assay |
Bioorg Med Chem Lett 22: 1348-51 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.066
BindingDB Entry DOI: 10.7270/Q28S4QC5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50363439
(CHEMBL1945215)Show SMILES CCOc1cc(CNC(=O)c2c3OC4=CC(=O)C(C(C)=O)C(=O)[C@@]4(C)c3c(O)cc2OC)c2ccccc2c1 |r,t:13| Show InChI InChI=1S/C30H27NO8/c1-5-38-18-10-16-8-6-7-9-19(16)17(11-18)14-31-29(36)25-22(37-4)12-21(34)26-27(25)39-23-13-20(33)24(15(2)32)28(35)30(23,26)3/h6-13,24,34H,5,14H2,1-4H3,(H,31,36)/t24?,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Partial agonist activity at human PPARgamma expressed in MG-63 cells by reporter gene-based transactivation assay |
Bioorg Med Chem Lett 22: 1348-51 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.066
BindingDB Entry DOI: 10.7270/Q28S4QC5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50363441
(CHEMBL1945217)Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cc(cc2ccccc12)C(O)=O |r,t:9| Show InChI InChI=1S/C29H23NO9/c1-13(31)22-18(32)11-21-29(2,26(22)34)24-19(33)10-20(38-3)23(25(24)39-21)27(35)30-12-16-9-15(28(36)37)8-14-6-4-5-7-17(14)16/h4-11,22,33H,12H2,1-3H3,(H,30,35)(H,36,37)/t22?,29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Partial agonist activity at human PPARgamma expressed in MG-63 cells by reporter gene-based transactivation assay |
Bioorg Med Chem Lett 22: 1348-51 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.066
BindingDB Entry DOI: 10.7270/Q28S4QC5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50363442
(CHEMBL1945218)Show SMILES COC(=O)CCc1cc(CNC(=O)c2c3OC4=CC(=O)C(C(C)=O)C(=O)[C@@]4(C)c3c(O)cc2OC)c2ccccc2c1 |r,t:16| Show InChI InChI=1S/C32H29NO9/c1-16(34)26-21(35)14-24-32(2,30(26)38)28-22(36)13-23(40-3)27(29(28)42-24)31(39)33-15-19-12-17(9-10-25(37)41-4)11-18-7-5-6-8-20(18)19/h5-8,11-14,26,36H,9-10,15H2,1-4H3,(H,33,39)/t26?,32-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Partial agonist activity at human PPARgamma expressed in MG-63 cells by reporter gene-based transactivation assay |
Bioorg Med Chem Lett 22: 1348-51 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.066
BindingDB Entry DOI: 10.7270/Q28S4QC5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50363434
(CHEMBL1944782)Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cc(C)cc2ccccc12 |r,t:9| Show InChI InChI=1S/C29H25NO7/c1-14-9-16-7-5-6-8-18(16)17(10-14)13-30-28(35)24-21(36-4)11-20(33)25-26(24)37-22-12-19(32)23(15(2)31)27(34)29(22,25)3/h5-12,23,33H,13H2,1-4H3,(H,30,35)/t23?,29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 210 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Partial agonist activity at human PPARgamma expressed in MG-63 cells by reporter gene-based transactivation assay |
Bioorg Med Chem Lett 22: 1348-51 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.066
BindingDB Entry DOI: 10.7270/Q28S4QC5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50363444
(CHEMBL1945220)Show SMILES COC(=O)CCCc1cc(CNC(=O)c2c3OC4=CC(=O)C(C(C)=O)C(=O)[C@@]4(C)c3c(O)cc2OC)c2ccccc2c1 |r,t:17| Show InChI InChI=1S/C33H31NO9/c1-17(35)27-22(36)15-25-33(2,31(27)39)29-23(37)14-24(41-3)28(30(29)43-25)32(40)34-16-20-13-18(8-7-11-26(38)42-4)12-19-9-5-6-10-21(19)20/h5-6,9-10,12-15,27,37H,7-8,11,16H2,1-4H3,(H,34,40)/t27?,33-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 42 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in MG-63 cells by reporter gene-based transactivation assay |
Bioorg Med Chem Lett 22: 1348-51 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.066
BindingDB Entry DOI: 10.7270/Q28S4QC5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50363440
(CHEMBL1945216)Show SMILES COC(=O)c1cc(CNC(=O)c2c3OC4=CC(=O)C(C(C)=O)C(=O)[C@@]4(C)c3c(O)cc2OC)c2ccccc2c1 |r,t:14| Show InChI InChI=1S/C30H25NO9/c1-14(32)23-19(33)12-22-30(2,27(23)35)25-20(34)11-21(38-3)24(26(25)40-22)28(36)31-13-17-10-16(29(37)39-4)9-15-7-5-6-8-18(15)17/h5-12,23,34H,13H2,1-4H3,(H,31,36)/t23?,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 880 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Partial agonist activity at human PPARgamma expressed in MG-63 cells by reporter gene-based transactivation assay |
Bioorg Med Chem Lett 22: 1348-51 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.066
BindingDB Entry DOI: 10.7270/Q28S4QC5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50363443
(CHEMBL1945219)Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cc(CCC(O)=O)cc2ccccc12 |r,t:9| Show InChI InChI=1S/C31H27NO9/c1-15(33)25-20(34)13-23-31(2,29(25)38)27-21(35)12-22(40-3)26(28(27)41-23)30(39)32-14-18-11-16(8-9-24(36)37)10-17-6-4-5-7-19(17)18/h4-7,10-13,25,35H,8-9,14H2,1-3H3,(H,32,39)(H,36,37)/t25?,31-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in MG-63 cells by reporter gene-based transactivation assay |
Bioorg Med Chem Lett 22: 1348-51 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.066
BindingDB Entry DOI: 10.7270/Q28S4QC5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50363436
(CHEMBL1945212)Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cc(OC(C)=O)cc2ccccc12 |r,t:9| Show InChI InChI=1S/C30H25NO9/c1-14(32)24-20(34)12-23-30(3,28(24)36)26-21(35)11-22(38-4)25(27(26)40-23)29(37)31-13-17-10-18(39-15(2)33)9-16-7-5-6-8-19(16)17/h5-12,24,35H,13H2,1-4H3,(H,31,37)/t24?,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 680 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Partial agonist activity at human PPARgamma expressed in MG-63 cells by reporter gene-based transactivation assay |
Bioorg Med Chem Lett 22: 1348-51 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.066
BindingDB Entry DOI: 10.7270/Q28S4QC5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50363437
(CHEMBL1945213)Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cc(O)cc2ccccc12 |r,t:9| Show InChI InChI=1S/C28H23NO8/c1-13(30)22-18(32)11-21-28(2,26(22)34)24-19(33)10-20(36-3)23(25(24)37-21)27(35)29-12-15-9-16(31)8-14-6-4-5-7-17(14)15/h4-11,22,31,33H,12H2,1-3H3,(H,29,35)/t22?,28-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Partial agonist activity at human PPARgamma expressed in MG-63 cells by reporter gene-based transactivation assay |
Bioorg Med Chem Lett 22: 1348-51 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.066
BindingDB Entry DOI: 10.7270/Q28S4QC5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28681
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)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/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in MG-63 cells by reporter gene-based transactivation assay |
Bioorg Med Chem Lett 22: 1348-51 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.066
BindingDB Entry DOI: 10.7270/Q28S4QC5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50363438
(CHEMBL1945214)Show SMILES COc1cc(CNC(=O)c2c3OC4=CC(=O)C(C(C)=O)C(=O)[C@@]4(C)c3c(O)cc2OC)c2ccccc2c1 |r,t:12| Show InChI InChI=1S/C29H25NO8/c1-14(31)23-19(32)12-22-29(2,27(23)34)25-20(33)11-21(37-4)24(26(25)38-22)28(35)30-13-16-10-17(36-3)9-15-7-5-6-8-18(15)16/h5-12,23,33H,13H2,1-4H3,(H,30,35)/t23?,29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 94 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Partial agonist activity at human PPARgamma expressed in MG-63 cells by reporter gene-based transactivation assay |
Bioorg Med Chem Lett 22: 1348-51 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.066
BindingDB Entry DOI: 10.7270/Q28S4QC5 |
More data for this
Ligand-Target Pair | |
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