null

SMILES: COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(C)CCN(C)Cc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)nn3)cc2)c1

InChI Key: InChIKey=VFQBCISACJQDMK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50505452   

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))	BDBM50505452 (CHEMBL4472499) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(C)CCN(C)Cc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)nn3)cc2)c1 Show InChI InChI=1S/C66H66N8O14/c1-71(39-51-41-73(69-67-51)29-31-81-33-35-83-53-23-19-47(20-24-53)61-63(59(75)55-15-5-7-17-57(55)87-61)85-43-45-11-9-13-49(37-45)65(77)79-3)27-28-72(2)40-52-42-74(70-68-52)30-32-82-34-36-84-54-25-21-48(22-26-54)62-64(60(76)56-16-6-8-18-58(56)88-62)86-44-46-12-10-14-50(38-46)66(78)80-4/h5-26,37-38,41-42H,27-36,39-40,43-44H2,1-4H3	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	133	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 BindingDB Entry DOI: 10.7270/Q28S4T5Q
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50505452 (CHEMBL4472499) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(C)CCN(C)Cc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)nn3)cc2)c1 Show InChI InChI=1S/C66H66N8O14/c1-71(39-51-41-73(69-67-51)29-31-81-33-35-83-53-23-19-47(20-24-53)61-63(59(75)55-15-5-7-17-57(55)87-61)85-43-45-11-9-13-49(37-45)65(77)79-3)27-28-72(2)40-52-42-74(70-68-52)30-32-82-34-36-84-54-25-21-48(22-26-54)62-64(60(76)56-16-6-8-18-58(56)88-62)86-44-46-12-10-14-50(38-46)66(78)80-4/h5-26,37-38,41-42H,27-36,39-40,43-44H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	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 BindingDB Entry DOI: 10.7270/Q28S4T5Q
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50505452 (CHEMBL4472499) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(C)CCN(C)Cc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)nn3)cc2)c1 Show InChI InChI=1S/C66H66N8O14/c1-71(39-51-41-73(69-67-51)29-31-81-33-35-83-53-23-19-47(20-24-53)61-63(59(75)55-15-5-7-17-57(55)87-61)85-43-45-11-9-13-49(37-45)65(77)79-3)27-28-72(2)40-52-42-74(70-68-52)30-32-82-34-36-84-54-25-21-48(22-26-54)62-64(60(76)56-16-6-8-18-58(56)88-62)86-44-46-12-10-14-50(38-46)66(78)80-4/h5-26,37-38,41-42H,27-36,39-40,43-44H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	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 BindingDB Entry DOI: 10.7270/Q28S4T5Q
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50505452 (CHEMBL4472499) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(C)CCN(C)Cc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)nn3)cc2)c1 Show InChI InChI=1S/C66H66N8O14/c1-71(39-51-41-73(69-67-51)29-31-81-33-35-83-53-23-19-47(20-24-53)61-63(59(75)55-15-5-7-17-57(55)87-61)85-43-45-11-9-13-49(37-45)65(77)79-3)27-28-72(2)40-52-42-74(70-68-52)30-32-82-34-36-84-54-25-21-48(22-26-54)62-64(60(76)56-16-6-8-18-58(56)88-62)86-44-46-12-10-14-50(38-46)66(78)80-4/h5-26,37-38,41-42H,27-36,39-40,43-44H2,1-4H3	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	84	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 BindingDB Entry DOI: 10.7270/Q28S4T5Q
					More data for this Ligand-Target Pair