BDBM50428871 CHEMBL2331785

SMILES: CCNC(=O)c1cc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1

InChI Key: InChIKey=MWAFLDQEXDZJCF-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50428871   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50428871 (CHEMBL2331785) Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1 Show InChI InChI=1S/C21H18Cl3N3O4S/c1-3-26-21(28)16-8-14(4-5-19(16)31-15-7-13(22)10-25-11-15)27-32(29,30)20-6-12(2)17(23)9-18(20)24/h4-11,27H,3H2,1-2H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				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))	BDBM50428871 (CHEMBL2331785) Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1 Show InChI InChI=1S/C21H18Cl3N3O4S/c1-3-26-21(28)16-8-14(4-5-19(16)31-15-7-13(22)10-25-11-15)27-32(29,30)20-6-12(2)17(23)9-18(20)24/h4-11,27H,3H2,1-2H3,(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	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
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50428871 (CHEMBL2331785) Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1 Show InChI InChI=1S/C21H18Cl3N3O4S/c1-3-26-21(28)16-8-14(4-5-19(16)31-15-7-13(22)10-25-11-15)27-32(29,30)20-6-12(2)17(23)9-18(20)24/h4-11,27H,3H2,1-2H3,(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	30	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