BDBM50202451 CHEMBL3945493

SMILES: CCCCn1c(\C=C2/Oc3cc(O)cc(O)c3C2=O)c(C)c2ccccc12

InChI Key: InChIKey=AJFDIQBBWVOEGI-NDENLUEZSA-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 = 50202451   

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-associated protein 2 (MRP2) (Homo sapiens (Human))	BDBM50202451 (CHEMBL3945493) Show SMILES CCCCn1c(\C=C2/Oc3cc(O)cc(O)c3C2=O)c(C)c2ccccc12 Show InChI InChI=1S/C22H21NO4/c1-3-4-9-23-16-8-6-5-7-15(16)13(2)17(23)12-20-22(26)21-18(25)10-14(24)11-19(21)27-20/h5-8,10-12,24-25H,3-4,9H2,1-2H3/b20-12-	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...				Eur J Med Chem 122: 408-418 (2016) Article DOI: 10.1016/j.ejmech.2016.06.039 BindingDB Entry DOI: 10.7270/Q2RN39TM
					More data for this Ligand-Target Pair