BDBM33294 phenylpropanoic acid derivative, 17j

SMILES: Cc1oc(nc1CCCc1ccc(C[C@@H](C(O)=O)n2nccn2)cc1)-c1ccccc1

InChI Key: InChIKey=MBNINRCJDJMURD-QFIPXVFZSA-N

Data: 2 IC50  2 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 2 hits for monomerid = 33294   

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 gamma (Homo sapiens (Human))	BDBM33294 (phenylpropanoic acid derivative, 17j) Show SMILES Cc1oc(nc1CCCc1ccc(C[C@@H](C(O)=O)n2nccn2)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C24H24N4O3/c1-17-21(27-23(31-17)20-7-3-2-4-8-20)9-5-6-18-10-12-19(13-11-18)16-22(24(29)30)28-25-14-15-26-28/h2-4,7-8,10-15,22H,5-6,9,16H2,1H3,(H,29,30)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3	n/a	13	n/a	n/a	7.4	23
Pfizer					Assay Description Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ...				Bioorg Med Chem 17: 7113-25 (2009) Article DOI: 10.1016/j.bmc.2009.09.001 BindingDB Entry DOI: 10.7270/Q2BP0158
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM33294 (phenylpropanoic acid derivative, 17j) Show SMILES Cc1oc(nc1CCCc1ccc(C[C@@H](C(O)=O)n2nccn2)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C24H24N4O3/c1-17-21(27-23(31-17)20-7-3-2-4-8-20)9-5-6-18-10-12-19(13-11-18)16-22(24(29)30)28-25-14-15-26-28/h2-4,7-8,10-15,22H,5-6,9,16H2,1H3,(H,29,30)/t22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	61	n/a	n/a	7.2	15
Pfizer					Assay Description Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...				Bioorg Med Chem 17: 7113-25 (2009) Article DOI: 10.1016/j.bmc.2009.09.001 BindingDB Entry DOI: 10.7270/Q2BP0158
					More data for this Ligand-Target Pair