BDBM50429663 CHEMBL260506

SMILES: COc1ccc(cc1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1

InChI Key: InChIKey=IGXUIJCWJSVVRX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50429663   

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
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50429663 (CHEMBL260506) Show SMILES COc1ccc(cc1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1 Show InChI InChI=1S/C25H27NO3/c1-27-23-10-8-20(9-11-23)19-6-4-18(5-7-19)16-26-13-12-21-14-24(28-2)25(29-3)15-22(21)17-26/h4-11,14-15H,12-13,16-17H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"A. Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) over-expressed in MDCK cells assessed as calcein accumulation incubated for 30 mins prior to Calcein-AM addition ...				J Med Chem 57: 9983-94 (2014) Article DOI: 10.1021/jm501640e BindingDB Entry DOI: 10.7270/Q2K9394N
					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50429663 (CHEMBL260506) Show SMILES COc1ccc(cc1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1 Show InChI InChI=1S/C25H27NO3/c1-27-23-10-8-20(9-11-23)19-6-4-18(5-7-19)16-26-13-12-21-14-24(28-2)25(29-3)15-22(21)17-26/h4-11,14-15H,12-13,16-17H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'A. Moro' Curated by ChEMBL					Assay Description Activity at MDR1 (unknown origin) expressed in MDCK cells using calcein AM as substrate incubated for 30 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1370-4 (2013) Article DOI: 10.1016/j.bmcl.2012.12.084 BindingDB Entry DOI: 10.7270/Q28S4R87
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50429663 (CHEMBL260506) Show SMILES COc1ccc(cc1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1 Show InChI InChI=1S/C25H27NO3/c1-27-23-10-8-20(9-11-23)19-6-4-18(5-7-19)16-26-13-12-21-14-24(28-2)25(29-3)15-22(21)17-26/h4-11,14-15H,12-13,16-17H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'A. Moro' Curated by ChEMBL					Assay Description Activity at BCRP (unknown origin) expressed in MDCK cells using rhodmaine 123 as substrate incubated for 30 mins prior to substrate addition measured...				Bioorg Med Chem Lett 23: 1370-4 (2013) Article DOI: 10.1016/j.bmcl.2012.12.084 BindingDB Entry DOI: 10.7270/Q28S4R87
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50429663 (CHEMBL260506) Show SMILES COc1ccc(cc1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1 Show InChI InChI=1S/C25H27NO3/c1-27-23-10-8-20(9-11-23)19-6-4-18(5-7-19)16-26-13-12-21-14-24(28-2)25(29-3)15-22(21)17-26/h4-11,14-15H,12-13,16-17H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'A. Moro' Curated by ChEMBL					Assay Description Activity at MRP1 (unknown origin) expressed in MDCK cells using calcein AM as substrate incubated for 30 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1370-4 (2013) Article DOI: 10.1016/j.bmcl.2012.12.084 BindingDB Entry DOI: 10.7270/Q28S4R87
					More data for this Ligand-Target Pair