BDBM50428883 CHEMBL2331774

SMILES: CCNC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)ccc1Oc1cncc(Cl)c1

InChI Key: InChIKey=RRWJTXTYXJZLDH-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50428883   

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 (Homo sapiens (Human))	BDBM50428883 (CHEMBL2331774) Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)ccc1Oc1cncc(Cl)c1 Show InChI InChI=1S/C21H16BrClF3N3O5S/c1-2-28-20(30)16-9-14(4-5-17(16)33-15-8-13(23)10-27-11-15)29-35(31,32)19-6-3-12(22)7-18(19)34-21(24,25)26/h3-11,29H,2H2,1H3,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Transactivation of GAL4 DBD-fused human PPARgamma-LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				Bioorg Med Chem 21: 979-92 (2013) Article DOI: 10.1016/j.bmc.2012.11.058 BindingDB Entry DOI: 10.7270/Q23F4R13
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50428883 (CHEMBL2331774) Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)ccc1Oc1cncc(Cl)c1 Show InChI InChI=1S/C21H16BrClF3N3O5S/c1-2-28-20(30)16-9-14(4-5-17(16)33-15-8-13(23)10-27-11-15)29-35(31,32)19-6-3-12(22)7-18(19)34-21(24,25)26/h3-11,29H,2H2,1H3,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay				Bioorg Med Chem 21: 979-92 (2013) Article DOI: 10.1016/j.bmc.2012.11.058 BindingDB Entry DOI: 10.7270/Q23F4R13
					More data for this Ligand-Target Pair