Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 404.4 BDBM50109544

Wt: 404.4 BDBM50109545

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 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))	BDBM50109544 (3-[4-(2-beta-Carbolin-9-yl-ethoxy)-phenyl]-2-ethox...) Show SMILES CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccncc23)cc1)C(O)=O Show InChI InChI=1S/C24H24N2O4/c1-2-29-23(24(27)28)15-17-7-9-18(10-8-17)30-14-13-26-21-6-4-3-5-19(21)20-11-12-25-16-22(20)26/h3-12,16,23H,2,13-15H2,1H3,(H,27,28)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro transactivation using receptor transactivation assay against hPPAR gamma				J Med Chem 45: 789-804 (2002) BindingDB Entry DOI: 10.7270/Q2445KSG
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50109545 (3-[4-(2-beta-Carbolin-9-yl-ethoxy)-phenyl]-2-ethox...) Show SMILES CCOC(Cc1ccc(OCCn2c3ccccc3c3ccncc23)cc1)C(O)=O Show InChI InChI=1S/C24H24N2O4/c1-2-29-23(24(27)28)15-17-7-9-18(10-8-17)30-14-13-26-21-6-4-3-5-19(21)20-11-12-25-16-22(20)26/h3-12,16,23H,2,13-15H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro transactivation using receptor transactivation assay against hPPAR alpha				J Med Chem 45: 789-804 (2002) BindingDB Entry DOI: 10.7270/Q2445KSG
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50109544 (3-[4-(2-beta-Carbolin-9-yl-ethoxy)-phenyl]-2-ethox...) Show SMILES CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccncc23)cc1)C(O)=O Show InChI InChI=1S/C24H24N2O4/c1-2-29-23(24(27)28)15-17-7-9-18(10-8-17)30-14-13-26-21-6-4-3-5-19(21)20-11-12-25-16-22(20)26/h3-12,16,23H,2,13-15H2,1H3,(H,27,28)/t23-/m0/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	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
TBA					Assay Description Transactivation of Homo sapiens (human) PPARgamma assessed as luciferase activity by reporter gene assay				Citation and Details Article DOI: 10.1007/s00044-011-9818-7 BindingDB Entry DOI: 10.7270/Q2R49TNP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50109545 (3-[4-(2-beta-Carbolin-9-yl-ethoxy)-phenyl]-2-ethox...) Show SMILES CCOC(Cc1ccc(OCCn2c3ccccc3c3ccncc23)cc1)C(O)=O Show InChI InChI=1S/C24H24N2O4/c1-2-29-23(24(27)28)15-17-7-9-18(10-8-17)30-14-13-26-21-6-4-3-5-19(21)20-11-12-25-16-22(20)26/h3-12,16,23H,2,13-15H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	91	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro transactivation using receptor transactivation assay against hPPAR gamma				J Med Chem 45: 789-804 (2002) BindingDB Entry DOI: 10.7270/Q2445KSG
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50109544 (3-[4-(2-beta-Carbolin-9-yl-ethoxy)-phenyl]-2-ethox...) Show SMILES CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccncc23)cc1)C(O)=O Show InChI InChI=1S/C24H24N2O4/c1-2-29-23(24(27)28)15-17-7-9-18(10-8-17)30-14-13-26-21-6-4-3-5-19(21)20-11-12-25-16-22(20)26/h3-12,16,23H,2,13-15H2,1H3,(H,27,28)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	141	n/a	n/a	n/a	n/a
TBA					Assay Description Transactivation of Homo sapiens (human) PPARalpha assessed as luciferase activity by reporter gene assay				Citation and Details Article DOI: 10.1007/s00044-011-9818-7 BindingDB Entry DOI: 10.7270/Q2R49TNP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50109544 (3-[4-(2-beta-Carbolin-9-yl-ethoxy)-phenyl]-2-ethox...) Show SMILES CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccncc23)cc1)C(O)=O Show InChI InChI=1S/C24H24N2O4/c1-2-29-23(24(27)28)15-17-7-9-18(10-8-17)30-14-13-26-21-6-4-3-5-19(21)20-11-12-25-16-22(20)26/h3-12,16,23H,2,13-15H2,1H3,(H,27,28)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro transactivation using receptor transactivation assay against hPPAR alpha				J Med Chem 45: 789-804 (2002) BindingDB Entry DOI: 10.7270/Q2445KSG
					More data for this Ligand-Target Pair