Found 11 hits with Last Name = 'mulero' and Initial = 'm' 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)) | BDBM50043280
(4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...)Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a |
Universitat Rovira i Virgili (URV)
Curated by ChEMBL
| Assay Description
Activity at full length human PPARgamma transfected in CV1 cells assessed as transactivation activity after 24 hrs by PPRE-TK- luciferase reporter ge... |
J Med Chem 58: 5381-94 (2015)
Article DOI: 10.1021/jm501155f
BindingDB Entry DOI: 10.7270/Q2K07601 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50093471
(CHEMBL3585576)Show SMILES CC[C@H](OC(=O)N(Cc1ccccc1)C(=O)Nc1cc(OC)cc(OC)c1)c1cc(no1)-c1ccc(OC(C)(C)C(O)=O)cc1 |r| Show InChI InChI=1S/C19H24N6O4/c1-10-2-4-11(5-3-10)6-7-21-16-13-17(24-19(20)23-16)25(9-22-13)18-15(28)14(27)12(8-26)29-18/h2-5,9,12,14-15,18,26-28H,6-8H2,1H3,(H3,20,21,23,24)/t12?,14-,15-,18?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 183 | n/a | n/a | n/a | n/a |
Universitat Rovira i Virgili (URV)
Curated by ChEMBL
| Assay Description
Activity at PPARgamma (unknown origin) assessed as transactivation activity by reporter gene assay |
J Med Chem 58: 5381-94 (2015)
Article DOI: 10.1021/jm501155f
BindingDB Entry DOI: 10.7270/Q2K07601 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50093472
(CHEMBL3585575)Show SMILES CC[C@@H](OC(=O)N(Cc1ccccc1)C(=O)Nc1cc(OC)cc(OC)c1)c1cc(no1)-c1ccc(OC(C)(C)C(O)=O)cc1 |r| Show InChI InChI=1S/C23H32N12O8/c24-22-30-16(10-18(32-22)34(6-28-10)20-14(40)12(38)8(4-36)42-20)26-2-1-3-27-17-11-19(33-23(25)31-17)35(7-29-11)21-15(41)13(39)9(5-37)43-21/h6-9,12-15,20-21,36-41H,1-5H2,(H3,24,26,30,32)(H3,25,27,31,33)/t8-,9+,12+,13-,14?,15?,20-,21+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 0.380 | n/a | n/a | n/a | n/a |
Universitat Rovira i Virgili (URV)
Curated by ChEMBL
| Assay Description
Activity at PPARgamma (unknown origin) assessed as transactivation activity by reporter gene assay |
J Med Chem 58: 5381-94 (2015)
Article DOI: 10.1021/jm501155f
BindingDB Entry DOI: 10.7270/Q2K07601 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50173365
(5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDO...)Show SMILES OC(=O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C22H15Cl2NO2S/c23-15-8-6-14(7-9-15)13-25-19-11-10-16(24)12-18(19)21(20(25)22(26)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H,26,27) | 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
| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 57 | n/a | n/a | n/a | n/a |
Universitat Rovira i Virgili (URV)
Curated by ChEMBL
| Assay Description
Activity at human PPARgamma transfected in HEK293 cells assessed as transactivation activity by luciferase reporter gene assay |
J Med Chem 58: 5381-94 (2015)
Article DOI: 10.1021/jm501155f
BindingDB Entry DOI: 10.7270/Q2K07601 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50157917
((2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFL...)Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12 |r| Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Universitat Rovira i Virgili (URV)
Curated by ChEMBL
| Assay Description
Activity at full length PPARgamma (unknown origin) transfected in 293T cells assessed as transactivation activity by UAS-luciferase reporter gene ass... |
J Med Chem 58: 5381-94 (2015)
Article DOI: 10.1021/jm501155f
BindingDB Entry DOI: 10.7270/Q2K07601 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM91427
(2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-(2-ph...)Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C21H24O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-9,13,22H,10-12H2,1-3H3,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 458 | n/a | n/a | n/a | n/a |
Universitat Rovira i Virgili (URV)
Curated by ChEMBL
| Assay Description
Activity at human PPARgamma transfected in HEK293 cells assessed as transactivation activity by luciferase reporter gene assay |
J Med Chem 58: 5381-94 (2015)
Article DOI: 10.1021/jm501155f
BindingDB Entry DOI: 10.7270/Q2K07601 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50093473
(Arhalofenate | CB-102 | JNJ-39659100 | M-102 | MBX...)Show SMILES CC(=O)NCCOC(=O)[C@H](Oc1cccc(c1)C(F)(F)F)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H22N6O6/c19-18-22-15(20-4-3-8-1-2-9(26)10(27)5-8)12-16(23-18)24(7-21-12)17-14(29)13(28)11(6-25)30-17/h1-2,5,7,11,13-14,17,25-29H,3-4,6H2,(H3,19,20,22,23)/t11?,13-,14-,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
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a |
Universitat Rovira i Virgili (URV)
Curated by ChEMBL
| Assay Description
Activity at human PPARgamma transfected in HEK293 cells assessed as transactivation activity by luciferase reporter gene assay |
J Med Chem 58: 5381-94 (2015)
Article DOI: 10.1021/jm501155f
BindingDB Entry DOI: 10.7270/Q2K07601 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50093474
(CHEMBL3585572)Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](NC(=O)\C=C\c2ccco2)C(O)=O)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H36N12O8/c26-24-32-18(12-20(34-24)36(8-30-12)22-16(42)14(40)10(6-38)44-22)28-4-2-1-3-5-29-19-13-21(35-25(27)33-19)37(9-31-13)23-17(43)15(41)11(7-39)45-23/h8-11,14-17,22-23,38-43H,1-7H2,(H3,26,28,32,34)(H3,27,29,33,35)/t10-,11+,14+,15-,16?,17?,22-,23+ | 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 | 155 | n/a | n/a | n/a | n/a |
Universitat Rovira i Virgili (URV)
Curated by ChEMBL
| Assay Description
Activity at human PPARgamma transfected in HEK293 cells assessed as transactivation activity by luciferase reporter gene assay |
J Med Chem 58: 5381-94 (2015)
Article DOI: 10.1021/jm501155f
BindingDB Entry DOI: 10.7270/Q2K07601 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50093475
(CHEMBL1204498)Show SMILES OC(=O)c1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C15H23N5O4/c1-2-3-4-5-16-13-10-14(18-7-17-13)20(8-19-10)15-12(23)11(22)9(6-21)24-15/h7-9,11-12,15,21-23H,2-6H2,1H3,(H,16,17,18)/t9?,11-,12-,15?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
Universitat Rovira i Virgili (URV)
Curated by ChEMBL
| Assay Description
Activity at human PPARgamma transfected in HEK293 cells assessed as transactivation activity by luciferase reporter gene assay |
J Med Chem 58: 5381-94 (2015)
Article DOI: 10.1021/jm501155f
BindingDB Entry DOI: 10.7270/Q2K07601 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM89212
(3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-m...)Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C26H32O4/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20/h5-7,9,11-13,17,27H,8,10,14-16H2,1-4H3,(H,28,29)/b19-13- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a |
Universitat Rovira i Virgili (URV)
Curated by ChEMBL
| Assay Description
Activity at PPARgamma (unknown origin) assessed as transactivation activity by reporter gene assay |
J Med Chem 58: 5381-94 (2015)
Article DOI: 10.1021/jm501155f
BindingDB Entry DOI: 10.7270/Q2K07601 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50157932
((R)-2-{2-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluo...)Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2ccccc2O[C@H](C)C(O)=O)c2cc(OC(F)(F)F)ccc12 Show InChI InChI=1S/C28H24F3NO6/c1-16-22(14-19-6-4-5-7-25(19)37-17(2)27(34)35)23-15-21(38-28(29,30)31)12-13-24(23)32(16)26(33)18-8-10-20(36-3)11-9-18/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m1/s1 | 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 | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Universitat Rovira i Virgili (URV)
Curated by ChEMBL
| Assay Description
Activity at full length PPARgamma (unknown origin) transfected in 293T cells assessed as transactivation activity by UAS-luciferase reporter gene ass... |
J Med Chem 58: 5381-94 (2015)
Article DOI: 10.1021/jm501155f
BindingDB Entry DOI: 10.7270/Q2K07601 |
More data for this
Ligand-Target Pair | |
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