BDBM50515964 CHEMBL4590439

SMILES: COc1cc(\C=C\C(=O)OC[C@H](C)CN(C)CCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC

InChI Key: InChIKey=KENGSUDQUORMPW-RFAWQRTRSA-N

Data: 2 EC50

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 2 hits for monomerid = 50515964   

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
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50515964 (CHEMBL4590439) Show SMILES COc1cc(\C=C\C(=O)OC[C@H](C)CN(C)CCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC |r| Show InChI InChI=1S/C35H39NO7/c1-24(23-43-32(37)16-15-25-19-30(39-3)34(41-5)31(20-25)40-4)22-36(2)17-10-18-42-35(38)33-28-13-8-6-11-26(28)21-27-12-7-9-14-29(27)33/h6-9,11-16,19-21,24H,10,17-18,22-23H2,1-5H3/b16-15+/t24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of BCRP (unknown origin) expressed in MDCK cells assessed as increase in Hoechst 33342 accumulation incubated for 30 mins by Hoechst 33342...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111655
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50515964 (CHEMBL4590439) Show SMILES COc1cc(\C=C\C(=O)OC[C@H](C)CN(C)CCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC |r| Show InChI InChI=1S/C35H39NO7/c1-24(23-43-32(37)16-15-25-19-30(39-3)34(41-5)31(20-25)40-4)22-36(2)17-10-18-42-35(38)33-28-13-8-6-11-26(28)21-27-12-7-9-14-29(27)33/h6-9,11-16,19-21,24H,10,17-18,22-23H2,1-5H3/b16-15+/t24-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	950	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of P-gp (unknown origin) expressed in MDCK-MDR1 cells assessed as increase in calcein-AM accumulation incubated for 30 mins by calcein-AM ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111655
					More data for this Ligand-Target Pair