BDBM50268577 CHEMBL4092147

SMILES: COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(Cl)cc4)nn3)Cc2cc1OC

InChI Key: InChIKey=QBDZENAQSFTMMG-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 = 50268577   

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))	BDBM50268577 (CHEMBL4092147) Show SMILES COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(Cl)cc4)nn3)Cc2cc1OC Show InChI InChI=1S/C29H30ClN5O4/c1-37-27-15-20-11-12-34(17-21(20)16-28(27)38-2)13-14-35-18-24(32-33-35)19-39-26-6-4-3-5-25(26)29(36)31-23-9-7-22(30)8-10-23/h3-10,15-16,18H,11-14,17,19H2,1-2H3,(H,31,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Center of Drug Discovery, State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China. Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 5 uM measured after ...				Bioorg Med Chem 25: 4194-4202 (2017) Article DOI: 10.1016/j.bmc.2017.06.015 BindingDB Entry DOI: 10.7270/Q26H4KWV
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