BDBM28663 2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzene]amido}benzoic acid::GW 9371

SMILES: OC(=O)c1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1

InChI Key: InChIKey=GYILVHHTCYNIOS-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 28663   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM28663 (2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)b...) Show SMILES OC(=O)c1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C23H20N2O5S/c26-22(24-21-11-4-3-10-20(21)23(27)28)17-8-5-9-19(14-17)31(29,30)25-13-12-16-6-1-2-7-18(16)15-25/h1-11,14H,12-13,15H2,(H,24,26)(H,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	126	n/a	1.26E+3	n/a	n/a	7.0	22
GSK					Assay Description Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...				Bioorg Med Chem Lett 18: 5018-22 (2008) Article DOI: 10.1016/j.bmcl.2008.08.011 BindingDB Entry DOI: 10.7270/Q2WD3XWS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM28663 (2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)b...) Show SMILES OC(=O)c1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C23H20N2O5S/c26-22(24-21-11-4-3-10-20(21)23(27)28)17-8-5-9-19(14-17)31(29,30)25-13-12-16-6-1-2-7-18(16)15-25/h1-11,14H,12-13,15H2,(H,24,26)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...				Bioorg Med Chem Lett 18: 5018-22 (2008) Article DOI: 10.1016/j.bmcl.2008.08.011 BindingDB Entry DOI: 10.7270/Q2WD3XWS
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM28663 (2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)b...) Show SMILES OC(=O)c1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C23H20N2O5S/c26-22(24-21-11-4-3-10-20(21)23(27)28)17-8-5-9-19(14-17)31(29,30)25-13-12-16-6-1-2-7-18(16)15-25/h1-11,14H,12-13,15H2,(H,24,26)(H,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.0	22
GSK					Assay Description Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...				Bioorg Med Chem Lett 18: 5018-22 (2008) Article DOI: 10.1016/j.bmcl.2008.08.011 BindingDB Entry DOI: 10.7270/Q2WD3XWS
					More data for this Ligand-Target Pair