null

SMILES: COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1

InChI Key: InChIKey=HMSLSXXEPMULCB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50505466   

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))	BDBM50505466 (CHEMBL4463713) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C50H45N3O11/c1-57-50(56)37-12-7-9-34(29-37)33-62-49-47(55)42-14-5-6-15-44(42)64-48(49)36-16-18-39(19-17-36)61-28-27-59-26-25-58-24-22-53-32-38(51-52-53)13-8-23-60-40-20-21-41-43(54)31-45(63-46(41)30-40)35-10-3-2-4-11-35/h2-7,9-12,14-21,29-32H,8,13,22-28,33H2,1H3	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	7	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
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50505466 (CHEMBL4463713) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C50H45N3O11/c1-57-50(56)37-12-7-9-34(29-37)33-62-49-47(55)42-14-5-6-15-44(42)64-48(49)36-16-18-39(19-17-36)61-28-27-59-26-25-58-24-22-53-32-38(51-52-53)13-8-23-60-40-20-21-41-43(54)31-45(63-46(41)30-40)35-10-3-2-4-11-35/h2-7,9-12,14-21,29-32H,8,13,22-28,33H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	414	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
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50505466 (CHEMBL4463713) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C50H45N3O11/c1-57-50(56)37-12-7-9-34(29-37)33-62-49-47(55)42-14-5-6-15-44(42)64-48(49)36-16-18-39(19-17-36)61-28-27-59-26-25-58-24-22-53-32-38(51-52-53)13-8-23-60-40-20-21-41-43(54)31-45(63-46(41)30-40)35-10-3-2-4-11-35/h2-7,9-12,14-21,29-32H,8,13,22-28,33H2,1H3	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	3.5	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-associated protein 1 (Homo sapiens (Human))	BDBM50505466 (CHEMBL4463713) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C50H45N3O11/c1-57-50(56)37-12-7-9-34(29-37)33-62-49-47(55)42-14-5-6-15-44(42)64-48(49)36-16-18-39(19-17-36)61-28-27-59-26-25-58-24-22-53-32-38(51-52-53)13-8-23-60-40-20-21-41-43(54)31-45(63-46(41)30-40)35-10-3-2-4-11-35/h2-7,9-12,14-21,29-32H,8,13,22-28,33H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	181	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