BDBM50537904 CHEMBL4646781

SMILES: [H][C@]12CN([C@@H](Cc3cc4OCOc4c(OC)c3)CN1C[C@]1(O)[C@H](c3c(cc4OCOc4c3OC)[C@]21[H])c1ccccc1)C(C)=O

InChI Key: InChIKey=AWGYFEUBGYGPIC-XYFQLPCYSA-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 = 50537904   

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))	BDBM50537904 (CHEMBL4646781) Show SMILES [H][C@]12CN([C@@H](Cc3cc4OCOc4c(OC)c3)CN1C[C@]1(O)[C@H](c3c(cc4OCOc4c3OC)[C@]21[H])c1ccccc1)C(C)=O |r| Show InChI InChI=1S/C33H34N2O8/c1-18(36)35-14-23-29-22-12-26-31(43-17-41-26)32(39-3)27(22)28(20-7-5-4-6-8-20)33(29,37)15-34(23)13-21(35)9-19-10-24(38-2)30-25(11-19)40-16-42-30/h4-8,10-12,21,23,28-29,37H,9,13-17H2,1-3H3/t21-,23+,28-,29+,33-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human SW620/AD300 cells assessed as potentiation of doxorubicin-induced antiproliferative activity ...				J Nat Prod 83: 497-504 (2020)
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