null

SMILES: CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1

InChI Key: InChIKey=IRNJSRAGRIZIHD-UHFFFAOYSA-N

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 7 hits for monomerid = 228129   

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
Nuclear receptor coactivator 2 [740-753] ()	BDBM228129 (US9562012, mitoglitazone) Show SMILES CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	2.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Metabolic Solutions Development Company, LLC US Patent					Assay Description PPARγ binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPARγ Competitive Binding Assay (I...				US Patent US9562012 (2017) BindingDB Entry DOI: 10.7270/Q26H4KDK
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM228129 (US9562012, mitoglitazone) Show SMILES CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
SPTanis PharmaChem Consulting LLC Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem 26: 5870-5884 (2018) Article DOI: 10.1016/j.bmc.2018.10.033 BindingDB Entry DOI: 10.7270/Q2XD14DJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM228129 (US9562012, mitoglitazone) Show SMILES CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
SPTanis PharmaChem Consulting LLC Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem 26: 5870-5884 (2018) Article DOI: 10.1016/j.bmc.2018.10.033 BindingDB Entry DOI: 10.7270/Q2XD14DJ
					More data for this Ligand-Target Pair
Mitochondrial pyruvate carrier 2 (Homo sapiens)	BDBM228129 (US9562012, mitoglitazone) Show SMILES CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
SPTanis PharmaChem Consulting LLC Curated by ChEMBL					Assay Description Displacement of photoprobe from MPC2 (unknown origin)				Bioorg Med Chem 26: 5870-5884 (2018) Article DOI: 10.1016/j.bmc.2018.10.033 BindingDB Entry DOI: 10.7270/Q2XD14DJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM228129 (US9562012, mitoglitazone) Show SMILES CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
SPTanis PharmaChem Consulting LLC Curated by ChEMBL					Assay Description Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-...				Bioorg Med Chem 26: 5870-5884 (2018) Article DOI: 10.1016/j.bmc.2018.10.033 BindingDB Entry DOI: 10.7270/Q2XD14DJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM228129 (US9562012, mitoglitazone) Show SMILES CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	657	n/a	n/a	n/a	n/a
SPTanis PharmaChem Consulting LLC Curated by ChEMBL					Assay Description Transactivation of GAL4-DBD fused human PPARgamma ligand binding domain expressed in UAS-bla HEL 293H cells preincubated for 16 hrs followed by FRET ...				Bioorg Med Chem 26: 5870-5884 (2018) Article DOI: 10.1016/j.bmc.2018.10.033 BindingDB Entry DOI: 10.7270/Q2XD14DJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
1,3-beta-glucan synthase component GSC2 (Saccharomyces cerevisiae)	BDBM228129 (US9562012, mitoglitazone) Show SMILES CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
SPTanis PharmaChem Consulting LLC Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem 26: 5870-5884 (2018) Article DOI: 10.1016/j.bmc.2018.10.033 BindingDB Entry DOI: 10.7270/Q2XD14DJ
					More data for this Ligand-Target Pair