BDBM50529862 CHEMBL4470288

SMILES: COc1cc2CCN(Cc3ccc(cc3)-c3ccc(cc3)N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)Cc2cc1OC

InChI Key: InChIKey=HPMYXWRALVVIDV-UHFFFAOYSA-N

Data: 2 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 = 50529862   

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
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50529862 (CHEMBL4470288) Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(cc3)N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)Cc2cc1OC Show InChI InChI=1S/C36H34N2O6S2/c1-43-35-23-30-21-22-37(26-31(30)24-36(35)44-2)25-27-13-15-28(16-14-27)29-17-19-32(20-18-29)38(45(39,40)33-9-5-3-6-10-33)46(41,42)34-11-7-4-8-12-34/h3-20,23-24H,21-22,25-26H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as increase in calcein-AM accumulation after 30 mins by calcein-AM dye based flu...				J Med Chem 62: 974-986 (2019) Article DOI: 10.1021/acs.jmedchem.8b01655
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50529862 (CHEMBL4470288) Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(cc3)N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)Cc2cc1OC Show InChI InChI=1S/C36H34N2O6S2/c1-43-35-23-30-21-22-37(26-31(30)24-36(35)44-2)25-27-13-15-28(16-14-27)29-17-19-32(20-18-29)38(45(39,40)33-9-5-3-6-10-33)46(41,42)34-11-7-4-8-12-34/h3-20,23-24H,21-22,25-26H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as increase in calcein-AM accumulation after 30 mins by calcein-AM dye based flu...				J Med Chem 62: 974-986 (2019) Article DOI: 10.1021/acs.jmedchem.8b01655
					More data for this Ligand-Target Pair