null

SMILES: COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1

InChI Key: InChIKey=PQKXOUMEBXDAAB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50505431   

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))	BDBM50505431 (CHEMBL4541502) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C49H43N3O10/c1-56-49(55)36-13-9-10-33(28-36)32-60-48-46(54)41-15-5-6-16-43(41)62-47(48)35-17-19-38(20-18-35)59-27-26-57-25-23-52-31-37(50-51-52)14-7-8-24-58-39-21-22-40-42(53)30-44(61-45(40)29-39)34-11-3-2-4-12-34/h2-6,9-13,15-22,28-31H,7-8,14,23-27,32H2,1H3	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	5.20	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))	BDBM50505431 (CHEMBL4541502) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C49H43N3O10/c1-56-49(55)36-13-9-10-33(28-36)32-60-48-46(54)41-15-5-6-16-43(41)62-47(48)35-17-19-38(20-18-35)59-27-26-57-25-23-52-31-37(50-51-52)14-7-8-24-58-39-21-22-40-42(53)30-44(61-45(40)29-39)34-11-3-2-4-12-34/h2-6,9-13,15-22,28-31H,7-8,14,23-27,32H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	325	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))	BDBM50505431 (CHEMBL4541502) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C49H43N3O10/c1-56-49(55)36-13-9-10-33(28-36)32-60-48-46(54)41-15-5-6-16-43(41)62-47(48)35-17-19-38(20-18-35)59-27-26-57-25-23-52-31-37(50-51-52)14-7-8-24-58-39-21-22-40-42(53)30-44(61-45(40)29-39)34-11-3-2-4-12-34/h2-6,9-13,15-22,28-31H,7-8,14,23-27,32H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	255	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))	BDBM50505431 (CHEMBL4541502) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C49H43N3O10/c1-56-49(55)36-13-9-10-33(28-36)32-60-48-46(54)41-15-5-6-16-43(41)62-47(48)35-17-19-38(20-18-35)59-27-26-57-25-23-52-31-37(50-51-52)14-7-8-24-58-39-21-22-40-42(53)30-44(61-45(40)29-39)34-11-3-2-4-12-34/h2-6,9-13,15-22,28-31H,7-8,14,23-27,32H2,1H3	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	5.60	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