Found 8 hits in this display 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)) | BDBM50362949
(CHEMBL1947147)Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O |r,wD:27.31,c:35,(27.37,-42.86,;26.05,-42.07,;24.71,-42.82,;24.68,-44.37,;23.33,-45.11,;22.01,-44.32,;20.54,-44.75,;19.66,-43.5,;20.58,-42.27,;22.04,-42.77,;23.38,-42.03,;19.76,-46.08,;18.3,-46.55,;16.97,-45.77,;15.63,-46.52,;15.61,-48.07,;16.94,-48.85,;18.29,-48.09,;19.75,-48.58,;19.76,-50.12,;21.09,-50.88,;22.41,-50.1,;23.75,-50.86,;23.76,-52.4,;22.43,-53.18,;21.09,-52.42,;19.76,-53.19,;25.07,-50.08,;25.05,-51.61,;25.07,-48.54,;26.54,-48.07,;27.03,-46.61,;27.44,-49.32,;26.53,-50.56,;27,-52.03,;20.66,-47.33,;22.2,-47.34,)| Show InChI InChI=1S/C26H19ClN4O6/c1-26(23(32)28-24(33)36-26)15-7-10-18(27)14(11-15)13-30-19-5-3-4-6-20(19)31(25(30)34)22-17-9-8-16(35-2)12-21(17)37-29-22/h3-12H,13H2,1-2H3,(H,28,32,33)/t26-/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 | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human PPARgamma by scintillation proximity assay |
J Med Chem 54: 8541-54 (2011)
Article DOI: 10.1021/jm201061j BindingDB Entry DOI: 10.7270/Q2542P11 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50362949
(CHEMBL1947147)Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O |r,wD:27.31,c:35,(27.37,-42.86,;26.05,-42.07,;24.71,-42.82,;24.68,-44.37,;23.33,-45.11,;22.01,-44.32,;20.54,-44.75,;19.66,-43.5,;20.58,-42.27,;22.04,-42.77,;23.38,-42.03,;19.76,-46.08,;18.3,-46.55,;16.97,-45.77,;15.63,-46.52,;15.61,-48.07,;16.94,-48.85,;18.29,-48.09,;19.75,-48.58,;19.76,-50.12,;21.09,-50.88,;22.41,-50.1,;23.75,-50.86,;23.76,-52.4,;22.43,-53.18,;21.09,-52.42,;19.76,-53.19,;25.07,-50.08,;25.05,-51.61,;25.07,-48.54,;26.54,-48.07,;27.03,-46.61,;27.44,-49.32,;26.53,-50.56,;27,-52.03,;20.66,-47.33,;22.2,-47.34,)| Show InChI InChI=1S/C26H19ClN4O6/c1-26(23(32)28-24(33)36-26)15-7-10-18(27)14(11-15)13-30-19-5-3-4-6-20(19)31(25(30)34)22-17-9-8-16(35-2)12-21(17)37-29-22/h3-12H,13H2,1-2H3,(H,28,32,33)/t26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to PPARdelta by scintillation proximity assay |
J Med Chem 54: 8541-54 (2011)
Article DOI: 10.1021/jm201061j BindingDB Entry DOI: 10.7270/Q2542P11 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50362949
(CHEMBL1947147)Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O |r,wD:27.31,c:35,(27.37,-42.86,;26.05,-42.07,;24.71,-42.82,;24.68,-44.37,;23.33,-45.11,;22.01,-44.32,;20.54,-44.75,;19.66,-43.5,;20.58,-42.27,;22.04,-42.77,;23.38,-42.03,;19.76,-46.08,;18.3,-46.55,;16.97,-45.77,;15.63,-46.52,;15.61,-48.07,;16.94,-48.85,;18.29,-48.09,;19.75,-48.58,;19.76,-50.12,;21.09,-50.88,;22.41,-50.1,;23.75,-50.86,;23.76,-52.4,;22.43,-53.18,;21.09,-52.42,;19.76,-53.19,;25.07,-50.08,;25.05,-51.61,;25.07,-48.54,;26.54,-48.07,;27.03,-46.61,;27.44,-49.32,;26.53,-50.56,;27,-52.03,;20.66,-47.33,;22.2,-47.34,)| Show InChI InChI=1S/C26H19ClN4O6/c1-26(23(32)28-24(33)36-26)15-7-10-18(27)14(11-15)13-30-19-5-3-4-6-20(19)31(25(30)34)22-17-9-8-16(35-2)12-21(17)37-29-22/h3-12H,13H2,1-2H3,(H,28,32,33)/t26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay |
J Med Chem 54: 8541-54 (2011)
Article DOI: 10.1021/jm201061j BindingDB Entry DOI: 10.7270/Q2542P11 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50362949
(CHEMBL1947147)Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O |r,wD:27.31,c:35,(27.37,-42.86,;26.05,-42.07,;24.71,-42.82,;24.68,-44.37,;23.33,-45.11,;22.01,-44.32,;20.54,-44.75,;19.66,-43.5,;20.58,-42.27,;22.04,-42.77,;23.38,-42.03,;19.76,-46.08,;18.3,-46.55,;16.97,-45.77,;15.63,-46.52,;15.61,-48.07,;16.94,-48.85,;18.29,-48.09,;19.75,-48.58,;19.76,-50.12,;21.09,-50.88,;22.41,-50.1,;23.75,-50.86,;23.76,-52.4,;22.43,-53.18,;21.09,-52.42,;19.76,-53.19,;25.07,-50.08,;25.05,-51.61,;25.07,-48.54,;26.54,-48.07,;27.03,-46.61,;27.44,-49.32,;26.53,-50.56,;27,-52.03,;20.66,-47.33,;22.2,-47.34,)| Show InChI InChI=1S/C26H19ClN4O6/c1-26(23(32)28-24(33)36-26)15-7-10-18(27)14(11-15)13-30-19-5-3-4-6-20(19)31(25(30)34)22-17-9-8-16(35-2)12-21(17)37-29-22/h3-12H,13H2,1-2H3,(H,28,32,33)/t26-/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 | >5.00E+4 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Partial agonist activity at human PPARgamma LBD assessed as activation of Src-1 by HTRF assay |
J Med Chem 54: 8541-54 (2011)
Article DOI: 10.1021/jm201061j BindingDB Entry DOI: 10.7270/Q2542P11 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50362949
(CHEMBL1947147)Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O |r,wD:27.31,c:35,(27.37,-42.86,;26.05,-42.07,;24.71,-42.82,;24.68,-44.37,;23.33,-45.11,;22.01,-44.32,;20.54,-44.75,;19.66,-43.5,;20.58,-42.27,;22.04,-42.77,;23.38,-42.03,;19.76,-46.08,;18.3,-46.55,;16.97,-45.77,;15.63,-46.52,;15.61,-48.07,;16.94,-48.85,;18.29,-48.09,;19.75,-48.58,;19.76,-50.12,;21.09,-50.88,;22.41,-50.1,;23.75,-50.86,;23.76,-52.4,;22.43,-53.18,;21.09,-52.42,;19.76,-53.19,;25.07,-50.08,;25.05,-51.61,;25.07,-48.54,;26.54,-48.07,;27.03,-46.61,;27.44,-49.32,;26.53,-50.56,;27,-52.03,;20.66,-47.33,;22.2,-47.34,)| Show InChI InChI=1S/C26H19ClN4O6/c1-26(23(32)28-24(33)36-26)15-7-10-18(27)14(11-15)13-30-19-5-3-4-6-20(19)31(25(30)34)22-17-9-8-16(35-2)12-21(17)37-29-22/h3-12H,13H2,1-2H3,(H,28,32,33)/t26-/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 | 1.82E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Partial agonist activity at human PPARgamma LBD assessed as activation of PBP by HTRF assay |
J Med Chem 54: 8541-54 (2011)
Article DOI: 10.1021/jm201061j BindingDB Entry DOI: 10.7270/Q2542P11 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50362949
(CHEMBL1947147)Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O |r,wD:27.31,c:35,(27.37,-42.86,;26.05,-42.07,;24.71,-42.82,;24.68,-44.37,;23.33,-45.11,;22.01,-44.32,;20.54,-44.75,;19.66,-43.5,;20.58,-42.27,;22.04,-42.77,;23.38,-42.03,;19.76,-46.08,;18.3,-46.55,;16.97,-45.77,;15.63,-46.52,;15.61,-48.07,;16.94,-48.85,;18.29,-48.09,;19.75,-48.58,;19.76,-50.12,;21.09,-50.88,;22.41,-50.1,;23.75,-50.86,;23.76,-52.4,;22.43,-53.18,;21.09,-52.42,;19.76,-53.19,;25.07,-50.08,;25.05,-51.61,;25.07,-48.54,;26.54,-48.07,;27.03,-46.61,;27.44,-49.32,;26.53,-50.56,;27,-52.03,;20.66,-47.33,;22.2,-47.34,)| Show InChI InChI=1S/C26H19ClN4O6/c1-26(23(32)28-24(33)36-26)15-7-10-18(27)14(11-15)13-30-19-5-3-4-6-20(19)31(25(30)34)22-17-9-8-16(35-2)12-21(17)37-29-22/h3-12H,13H2,1-2H3,(H,28,32,33)/t26-/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 | >5.00E+4 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Partial agonist activity at human PPARgamma LBD assessed as activation of CBP1-453 by HTRF assay |
J Med Chem 54: 8541-54 (2011)
Article DOI: 10.1021/jm201061j BindingDB Entry DOI: 10.7270/Q2542P11 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50362949
(CHEMBL1947147)Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O |r,wD:27.31,c:35,(27.37,-42.86,;26.05,-42.07,;24.71,-42.82,;24.68,-44.37,;23.33,-45.11,;22.01,-44.32,;20.54,-44.75,;19.66,-43.5,;20.58,-42.27,;22.04,-42.77,;23.38,-42.03,;19.76,-46.08,;18.3,-46.55,;16.97,-45.77,;15.63,-46.52,;15.61,-48.07,;16.94,-48.85,;18.29,-48.09,;19.75,-48.58,;19.76,-50.12,;21.09,-50.88,;22.41,-50.1,;23.75,-50.86,;23.76,-52.4,;22.43,-53.18,;21.09,-52.42,;19.76,-53.19,;25.07,-50.08,;25.05,-51.61,;25.07,-48.54,;26.54,-48.07,;27.03,-46.61,;27.44,-49.32,;26.53,-50.56,;27,-52.03,;20.66,-47.33,;22.2,-47.34,)| Show InChI InChI=1S/C26H19ClN4O6/c1-26(23(32)28-24(33)36-26)15-7-10-18(27)14(11-15)13-30-19-5-3-4-6-20(19)31(25(30)34)22-17-9-8-16(35-2)12-21(17)37-29-22/h3-12H,13H2,1-2H3,(H,28,32,33)/t26-/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 | 9.10 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay |
J Med Chem 54: 8541-54 (2011)
Article DOI: 10.1021/jm201061j BindingDB Entry DOI: 10.7270/Q2542P11 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50362949
(CHEMBL1947147)Show SMILES COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O |r,wD:27.31,c:35,(27.37,-42.86,;26.05,-42.07,;24.71,-42.82,;24.68,-44.37,;23.33,-45.11,;22.01,-44.32,;20.54,-44.75,;19.66,-43.5,;20.58,-42.27,;22.04,-42.77,;23.38,-42.03,;19.76,-46.08,;18.3,-46.55,;16.97,-45.77,;15.63,-46.52,;15.61,-48.07,;16.94,-48.85,;18.29,-48.09,;19.75,-48.58,;19.76,-50.12,;21.09,-50.88,;22.41,-50.1,;23.75,-50.86,;23.76,-52.4,;22.43,-53.18,;21.09,-52.42,;19.76,-53.19,;25.07,-50.08,;25.05,-51.61,;25.07,-48.54,;26.54,-48.07,;27.03,-46.61,;27.44,-49.32,;26.53,-50.56,;27,-52.03,;20.66,-47.33,;22.2,-47.34,)| Show InChI InChI=1S/C26H19ClN4O6/c1-26(23(32)28-24(33)36-26)15-7-10-18(27)14(11-15)13-30-19-5-3-4-6-20(19)31(25(30)34)22-17-9-8-16(35-2)12-21(17)37-29-22/h3-12H,13H2,1-2H3,(H,28,32,33)/t26-/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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Partial agonist activity at human PPARgamma LBD assessed as activation of PGC1 by HTRF assay |
J Med Chem 54: 8541-54 (2011)
Article DOI: 10.1021/jm201061j BindingDB Entry DOI: 10.7270/Q2542P11 |
More data for this Ligand-Target Pair | |