BDBM50516348 CHEMBL4442173

SMILES: COc1cc(NC(=O)c2coc3ccccc3c2=O)c(cc1OC)-c1nnn(n1)-c1ccc(CCN2CCc3ccccc3C2)cc1

InChI Key: InChIKey=MTSTVZWVQAZPCW-UHFFFAOYSA-N

Data: 1 IC50

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 = 50516348   

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))	BDBM50516348 (CHEMBL4442173) Show SMILES COc1cc(NC(=O)c2coc3ccccc3c2=O)c(cc1OC)-c1nnn(n1)-c1ccc(CCN2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C36H32N6O5/c1-45-32-19-28(30(20-33(32)46-2)37-36(44)29-22-47-31-10-6-5-9-27(31)34(29)43)35-38-40-42(39-35)26-13-11-23(12-14-26)15-17-41-18-16-24-7-3-4-8-25(24)21-41/h3-14,19-20,22H,15-18,21H2,1-2H3,(H,37,44)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Henan University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of Pgp (unknown origin) expressed in MDCK cells assessed as reduction in paclitaxel transport				Eur J Med Chem 178: 341-351 (2019) Article DOI: 10.1016/j.ejmech.2019.05.071
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