BindingDB PrimarySearch

BDBM50173365 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID::5-Chloro-1-(4-chloro-benzyl)-3-phenylsulfanyl-1H-indole-2-carboxylic acid::CHEMBL370152

SMILES: OC(=O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1

InChI Key: InChIKey=VUPOTURDKDMIGQ-UHFFFAOYSA-N

Data: 2 IC50 1 Kd 2 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50173365
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50173365 (5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDO...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay				Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50173365 (5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDO...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay				Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50173365 (5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDO...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a
Helmholtz Centre for Infection Research Curated by ChEMBL					Assay Description Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay				J Med Chem 56: 1535-43 (2013) Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J
Helmholtz Centre for Infection Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50173365 (5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDO...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	57	n/a	n/a	n/a	n/a
Universitat Rovira i Virgili (URV) Curated by ChEMBL					Assay Description Activity at human PPARgamma transfected in HEK293 cells assessed as transactivation activity by luciferase reporter gene assay				J Med Chem 58: 5381-94 (2015) Article DOI: 10.1021/jm501155f BindingDB Entry DOI: 10.7270/Q2K07601
Universitat Rovira i Virgili (URV) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50173365 (5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDO...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay				Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair