null

SMILES: CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1

InChI Key: InChIKey=SUBJAJAOVHMPAV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 33283   

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 alpha (Homo sapiens (Human))	BDBM33283 ((3-{4-[(3-phenyl-7-propyl-1,2-benzisoxazol-6-yl)ox...) Show SMILES CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C28H29NO5/c1-2-9-23-25(15-14-24-27(29-34-28(23)24)21-11-4-3-5-12-21)33-17-7-6-16-32-22-13-8-10-20(18-22)19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR alpha receptor				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM33283 ((3-{4-[(3-phenyl-7-propyl-1,2-benzisoxazol-6-yl)ox...) Show SMILES CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C28H29NO5/c1-2-9-23-25(15-14-24-27(29-34-28(23)24)21-11-4-3-5-12-21)33-17-7-6-16-32-22-13-8-10-20(18-22)19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged PPARalpha ligand-binding domain (unknown origin) expressed in HEK293T cells incubated for 16 to 19 hrs by beta-lactam...				Bioorg Med Chem Lett 25: 270-5 (2014) Article DOI: 10.1016/j.bmcl.2014.11.052 BindingDB Entry DOI: 10.7270/Q2S18434
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM33283 ((3-{4-[(3-phenyl-7-propyl-1,2-benzisoxazol-6-yl)ox...) Show SMILES CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C28H29NO5/c1-2-9-23-25(15-14-24-27(29-34-28(23)24)21-11-4-3-5-12-21)33-17-7-6-16-32-22-13-8-10-20(18-22)19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)	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	6	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR gamma receptor				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM33283 ((3-{4-[(3-phenyl-7-propyl-1,2-benzisoxazol-6-yl)ox...) Show SMILES CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C28H29NO5/c1-2-9-23-25(15-14-24-27(29-34-28(23)24)21-11-4-3-5-12-21)33-17-7-6-16-32-22-13-8-10-20(18-22)19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)	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	6	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged PPARgamma (unknown origin)				Bioorg Med Chem Lett 25: 270-5 (2014) Article DOI: 10.1016/j.bmcl.2014.11.052 BindingDB Entry DOI: 10.7270/Q2S18434
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM33283 ((3-{4-[(3-phenyl-7-propyl-1,2-benzisoxazol-6-yl)ox...) Show SMILES CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C28H29NO5/c1-2-9-23-25(15-14-24-27(29-34-28(23)24)21-11-4-3-5-12-21)33-17-7-6-16-32-22-13-8-10-20(18-22)19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR delta receptor				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM33283 ((3-{4-[(3-phenyl-7-propyl-1,2-benzisoxazol-6-yl)ox...) Show SMILES CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C28H29NO5/c1-2-9-23-25(15-14-24-27(29-34-28(23)24)21-11-4-3-5-12-21)33-17-7-6-16-32-22-13-8-10-20(18-22)19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged PPARdelta (unknown origin)				Bioorg Med Chem Lett 25: 270-5 (2014) Article DOI: 10.1016/j.bmcl.2014.11.052 BindingDB Entry DOI: 10.7270/Q2S18434
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM33283 ((3-{4-[(3-phenyl-7-propyl-1,2-benzisoxazol-6-yl)ox...) Show SMILES CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C28H29NO5/c1-2-9-23-25(15-14-24-27(29-34-28(23)24)21-11-4-3-5-12-21)33-17-7-6-16-32-22-13-8-10-20(18-22)19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM33283 ((3-{4-[(3-phenyl-7-propyl-1,2-benzisoxazol-6-yl)ox...) Show SMILES CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C28H29NO5/c1-2-9-23-25(15-14-24-27(29-34-28(23)24)21-11-4-3-5-12-21)33-17-7-6-16-32-22-13-8-10-20(18-22)19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR gamma receptor				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM33283 ((3-{4-[(3-phenyl-7-propyl-1,2-benzisoxazol-6-yl)ox...) Show SMILES CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C28H29NO5/c1-2-9-23-25(15-14-24-27(29-34-28(23)24)21-11-4-3-5-12-21)33-17-7-6-16-32-22-13-8-10-20(18-22)19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair