null

SMILES: O=c1cc(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

InChI Key: InChIKey=ZRZWSUQXEGKUAF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50505461   

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
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50505461 (CHEMBL4281841) Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C41H37N3O8/c45-36-26-40(51-38-11-5-4-10-34(36)38)30-12-14-32(15-13-30)50-24-23-48-22-21-47-20-18-44-28-31(42-43-44)9-6-19-49-33-16-17-35-37(46)27-39(52-41(35)25-33)29-7-2-1-3-8-29/h1-5,7-8,10-17,25-28H,6,9,18-24H2	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	52	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))	BDBM50505461 (CHEMBL4281841) Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C41H37N3O8/c45-36-26-40(51-38-11-5-4-10-34(36)38)30-12-14-32(15-13-30)50-24-23-48-22-21-47-20-18-44-28-31(42-43-44)9-6-19-49-33-16-17-35-37(46)27-39(52-41(35)25-33)29-7-2-1-3-8-29/h1-5,7-8,10-17,25-28H,6,9,18-24H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	384	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
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50505461 (CHEMBL4281841) Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C41H37N3O8/c45-36-26-40(51-38-11-5-4-10-34(36)38)30-12-14-32(15-13-30)50-24-23-48-22-21-47-20-18-44-28-31(42-43-44)9-6-19-49-33-16-17-35-37(46)27-39(52-41(35)25-33)29-7-2-1-3-8-29/h1-5,7-8,10-17,25-28H,6,9,18-24H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	170	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))	BDBM50505461 (CHEMBL4281841) Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C41H37N3O8/c45-36-26-40(51-38-11-5-4-10-34(36)38)30-12-14-32(15-13-30)50-24-23-48-22-21-47-20-18-44-28-31(42-43-44)9-6-19-49-33-16-17-35-37(46)27-39(52-41(35)25-33)29-7-2-1-3-8-29/h1-5,7-8,10-17,25-28H,6,9,18-24H2	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	203	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