null

SMILES: O=c1cc(oc2cc(OCCCc3cn(CCOCCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1

InChI Key: InChIKey=JFQGPWJJYPFSFY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50505468   

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 1 (Homo sapiens (Human))	BDBM50505468 (CHEMBL4293515) Show SMILES O=c1cc(oc2cc(OCCCc3cn(CCOCCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C41H37N3O8/c45-36-26-38(29-8-3-1-4-9-29)51-40-24-32(13-15-34(36)40)49-18-7-12-31-28-44(43-42-31)17-19-47-20-21-48-22-23-50-33-14-16-35-37(46)27-39(52-41(35)25-33)30-10-5-2-6-11-30/h1-6,8-11,13-16,24-28H,7,12,17-23H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	205	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
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50505468 (CHEMBL4293515) Show SMILES O=c1cc(oc2cc(OCCCc3cn(CCOCCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C41H37N3O8/c45-36-26-38(29-8-3-1-4-9-29)51-40-24-32(13-15-34(36)40)49-18-7-12-31-28-44(43-42-31)17-19-47-20-21-48-22-23-50-33-14-16-35-37(46)27-39(52-41(35)25-33)30-10-5-2-6-11-30/h1-6,8-11,13-16,24-28H,7,12,17-23H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	177	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
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50505468 (CHEMBL4293515) Show SMILES O=c1cc(oc2cc(OCCCc3cn(CCOCCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C41H37N3O8/c45-36-26-38(29-8-3-1-4-9-29)51-40-24-32(13-15-34(36)40)49-18-7-12-31-28-44(43-42-31)17-19-47-20-21-48-22-23-50-33-14-16-35-37(46)27-39(52-41(35)25-33)30-10-5-2-6-11-30/h1-6,8-11,13-16,24-28H,7,12,17-23H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	57	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
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50505468 (CHEMBL4293515) Show SMILES O=c1cc(oc2cc(OCCCc3cn(CCOCCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C41H37N3O8/c45-36-26-38(29-8-3-1-4-9-29)51-40-24-32(13-15-34(36)40)49-18-7-12-31-28-44(43-42-31)17-19-47-20-21-48-22-23-50-33-14-16-35-37(46)27-39(52-41(35)25-33)30-10-5-2-6-11-30/h1-6,8-11,13-16,24-28H,7,12,17-23H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	515	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