null

SMILES: O=c1cc(oc2cc(OCCCc3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1

InChI Key: InChIKey=VOROWDYQRAPUBO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50505465   

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))	BDBM50505465 (CHEMBL4294216) Show SMILES O=c1cc(oc2cc(OCCCc3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C48H43N3O9/c52-42-31-44(35-12-5-2-6-13-35)59-45-30-39(21-22-40(42)45)56-24-9-14-37-32-51(50-49-37)23-25-54-26-27-55-28-29-57-38-19-17-36(18-20-38)47-48(58-33-34-10-3-1-4-11-34)46(53)41-15-7-8-16-43(41)60-47/h1-8,10-13,15-22,30-32H,9,14,23-29,33H2	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	78	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-associated protein 1 (Homo sapiens (Human))	BDBM50505465 (CHEMBL4294216) Show SMILES O=c1cc(oc2cc(OCCCc3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C48H43N3O9/c52-42-31-44(35-12-5-2-6-13-35)59-45-30-39(21-22-40(42)45)56-24-9-14-37-32-51(50-49-37)23-25-54-26-27-55-28-29-57-38-19-17-36(18-20-38)47-48(58-33-34-10-3-1-4-11-34)46(53)41-15-7-8-16-43(41)60-47/h1-8,10-13,15-22,30-32H,9,14,23-29,33H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	207	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))	BDBM50505465 (CHEMBL4294216) Show SMILES O=c1cc(oc2cc(OCCCc3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C48H43N3O9/c52-42-31-44(35-12-5-2-6-13-35)59-45-30-39(21-22-40(42)45)56-24-9-14-37-32-51(50-49-37)23-25-54-26-27-55-28-29-57-38-19-17-36(18-20-38)47-48(58-33-34-10-3-1-4-11-34)46(53)41-15-7-8-16-43(41)60-47/h1-8,10-13,15-22,30-32H,9,14,23-29,33H2	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	60	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))	BDBM50505465 (CHEMBL4294216) Show SMILES O=c1cc(oc2cc(OCCCc3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C48H43N3O9/c52-42-31-44(35-12-5-2-6-13-35)59-45-30-39(21-22-40(42)45)56-24-9-14-37-32-51(50-49-37)23-25-54-26-27-55-28-29-57-38-19-17-36(18-20-38)47-48(58-33-34-10-3-1-4-11-34)46(53)41-15-7-8-16-43(41)60-47/h1-8,10-13,15-22,30-32H,9,14,23-29,33H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	259	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