BDBM50537903 CHEMBL4639635

SMILES: [H][C@]12CN3C[C@H](Cc4cc5OCOc5c(OC)c4)N(C[C@]3([H])[C@@]1([H])c1cc3OCOc3c(OC)c1[C@@H]2c1ccccc1)C(C)=O

InChI Key: InChIKey=TWWJMGZERGSHPD-QSXYMPNJSA-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 = 50537903   

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))	BDBM50537903 (CHEMBL4639635) Show SMILES [H][C@]12CN3C[C@H](Cc4cc5OCOc5c(OC)c4)N(C[C@]3([H])[C@@]1([H])c1cc3OCOc3c(OC)c1[C@@H]2c1ccccc1)C(C)=O |r| Show InChI InChI=1S/C33H34N2O7/c1-18(36)35-15-24-29-22-12-27-32(42-17-40-27)33(38-3)30(22)28(20-7-5-4-6-8-20)23(29)14-34(24)13-21(35)9-19-10-25(37-2)31-26(11-19)39-16-41-31/h4-8,10-12,21,23-24,28-29H,9,13-17H2,1-3H3/t21-,23+,24+,28+,29-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	350	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)
					More data for this Ligand-Target Pair