BDBM50370875 CHEMBL224951

SMILES: CC(C)(C)c1ccc(CSc2nc3ccc(NC(=O)c4ccc(cc4)C(C)(C)C)cc3s2)cc1

InChI Key: InChIKey=FPTKRPBTMUTHRC-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50370875   

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
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50370875 (CHEMBL224951) Show SMILES CC(C)(C)c1ccc(CSc2nc3ccc(NC(=O)c4ccc(cc4)C(C)(C)C)cc3s2)cc1 Show InChI InChI=1S/C29H32N2OS2/c1-28(2,3)21-11-7-19(8-12-21)18-33-27-31-24-16-15-23(17-25(24)34-27)30-26(32)20-9-13-22(14-10-20)29(4,5)6/h7-17H,18H2,1-6H3,(H,30,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair