BDBM50505467 CHEMBL4294696

SMILES: Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

InChI Key: InChIKey=FWVGFAUETZRWKT-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 = 50505467   

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))	BDBM50505467 (CHEMBL4294696) Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C41H36FN3O8/c42-30-10-14-34-36(46)26-39(52-40(34)23-30)29-8-11-32(12-9-29)50-17-4-7-31-27-45(44-43-31)16-18-48-19-20-49-21-22-51-33-13-15-35-37(47)25-38(53-41(35)24-33)28-5-2-1-3-6-28/h1-3,5-6,8-15,23-27H,4,7,16-22H2	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	27	n/a	n/a	n/a	n/a
Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of BCRP in human MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay				J Med Chem 62: 8578-8608 (2019) Article DOI: 10.1021/acs.jmedchem.9b00963
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50505467 (CHEMBL4294696) Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C41H36FN3O8/c42-30-10-14-34-36(46)26-39(52-40(34)23-30)29-8-11-32(12-9-29)50-17-4-7-31-27-45(44-43-31)16-18-48-19-20-49-21-22-51-33-13-15-35-37(47)25-38(53-41(35)24-33)28-5-2-1-3-6-28/h1-3,5-6,8-15,23-27H,4,7,16-22H2	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	89	n/a	n/a	n/a	n/a
Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of P-gp (unknown origin) expressed in human LCC6MDR cells assessed as reversal of paclitaxel resistance after 5 days by MTS/PMS assay				J Med Chem 62: 8578-8608 (2019) Article DOI: 10.1021/acs.jmedchem.9b00963
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50505467 (CHEMBL4294696) Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C41H36FN3O8/c42-30-10-14-34-36(46)26-39(52-40(34)23-30)29-8-11-32(12-9-29)50-17-4-7-31-27-45(44-43-31)16-18-48-19-20-49-21-22-51-33-13-15-35-37(47)25-38(53-41(35)24-33)28-5-2-1-3-6-28/h1-3,5-6,8-15,23-27H,4,7,16-22H2	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	28	n/a	n/a	n/a	n/a
Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay				J Med Chem 62: 8578-8608 (2019) Article DOI: 10.1021/acs.jmedchem.9b00963
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50505467 (CHEMBL4294696) Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C41H36FN3O8/c42-30-10-14-34-36(46)26-39(52-40(34)23-30)29-8-11-32(12-9-29)50-17-4-7-31-27-45(44-43-31)16-18-48-19-20-49-21-22-51-33-13-15-35-37(47)25-38(53-41(35)24-33)28-5-2-1-3-6-28/h1-3,5-6,8-15,23-27H,4,7,16-22H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	156	n/a	n/a	n/a	n/a
Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of MRP1 (unknown origin) expressed in human 2008/MRP1 assessed as reversal of doxorubicin resistance after 5 days by MTS/PMS assay				J Med Chem 62: 8578-8608 (2019) Article DOI: 10.1021/acs.jmedchem.9b00963
					More data for this Ligand-Target Pair