Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 553.6 BDBM50471946

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

Found 5 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))	BDBM50471946 (CHEMBL149715) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)N1CCCCC1 Show InChI InChI=1S/C33H35N3O5/c1-23-28(35-33(41-23)36-19-8-3-9-20-36)18-21-40-26-16-14-24(15-17-26)22-30(32(38)39)34-29-13-7-6-12-27(29)31(37)25-10-4-2-5-11-25/h2,4-7,10-17,30,34H,3,8-9,18-22H2,1H3,(H,38,39)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition by 50% of in vitro binding to Peroxisome proliferator activated receptor gamma				J Med Chem 41: 5037-54 (1998) Article DOI: 10.1021/jm980413z BindingDB Entry DOI: 10.7270/Q2J38W9F
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50471946 (CHEMBL149715) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)N1CCCCC1 Show InChI InChI=1S/C33H35N3O5/c1-23-28(35-33(41-23)36-19-8-3-9-20-36)18-21-40-26-16-14-24(15-17-26)22-30(32(38)39)34-29-13-7-6-12-27(29)31(37)25-10-4-2-5-11-25/h2,4-7,10-17,30,34H,3,8-9,18-22H2,1H3,(H,38,39)/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Tested in vitro for inhibiting the 50% binding of Peroxisome proliferator activated receptor alpha				J Med Chem 41: 5037-54 (1998) Article DOI: 10.1021/jm980413z BindingDB Entry DOI: 10.7270/Q2J38W9F
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50471946 (CHEMBL149715) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)N1CCCCC1 Show InChI InChI=1S/C33H35N3O5/c1-23-28(35-33(41-23)36-19-8-3-9-20-36)18-21-40-26-16-14-24(15-17-26)22-30(32(38)39)34-29-13-7-6-12-27(29)31(37)25-10-4-2-5-11-25/h2,4-7,10-17,30,34H,3,8-9,18-22H2,1H3,(H,38,39)/t30-/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	51	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Tested functionally in vitro for inducing 50% of the maximum alkaline phosphate activity (Transactivation) against Peroxisome proliferator activated ...				J Med Chem 41: 5037-54 (1998) Article DOI: 10.1021/jm980413z BindingDB Entry DOI: 10.7270/Q2J38W9F
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50471946 (CHEMBL149715) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)N1CCCCC1 Show InChI InChI=1S/C33H35N3O5/c1-23-28(35-33(41-23)36-19-8-3-9-20-36)18-21-40-26-16-14-24(15-17-26)22-30(32(38)39)34-29-13-7-6-12-27(29)31(37)25-10-4-2-5-11-25/h2,4-7,10-17,30,34H,3,8-9,18-22H2,1H3,(H,38,39)/t30-/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	550	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Ability to promote differentiation of C3H10T1/2 stem cells to adipocytes using lipogenesis assay mediated through activation of Peroxisome proliferat...				J Med Chem 41: 5037-54 (1998) Article DOI: 10.1021/jm980413z BindingDB Entry DOI: 10.7270/Q2J38W9F
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50471946 (CHEMBL149715) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)N1CCCCC1 Show InChI InChI=1S/C33H35N3O5/c1-23-28(35-33(41-23)36-19-8-3-9-20-36)18-21-40-26-16-14-24(15-17-26)22-30(32(38)39)34-29-13-7-6-12-27(29)31(37)25-10-4-2-5-11-25/h2,4-7,10-17,30,34H,3,8-9,18-22H2,1H3,(H,38,39)/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro transactivation of Peroxisome proliferator activated receptor alpha.				J Med Chem 41: 5037-54 (1998) Article DOI: 10.1021/jm980413z BindingDB Entry DOI: 10.7270/Q2J38W9F
					More data for this Ligand-Target Pair