null

SMILES: Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3oc4ccccc4c(=O)c3OCc3ccccc3)nn2)cc1

InChI Key: InChIKey=RXBKGGVFTVIBRI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50505469   

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
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50505469 (CHEMBL4284487) Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3oc4ccccc4c(=O)c3OCc3ccccc3)nn2)cc1 Show InChI InChI=1S/C48H42FN3O9/c49-36-16-21-40-42(53)30-44(60-45(40)29-36)34-12-17-38(18-13-34)57-23-6-9-37-31-52(51-50-37)22-24-55-25-26-56-27-28-58-39-19-14-35(15-20-39)47-48(59-32-33-7-2-1-3-8-33)46(54)41-10-4-5-11-43(41)61-47/h1-5,7-8,10-21,29-31H,6,9,22-28,32H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	111	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
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50505469 (CHEMBL4284487) Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3oc4ccccc4c(=O)c3OCc3ccccc3)nn2)cc1 Show InChI InChI=1S/C48H42FN3O9/c49-36-16-21-40-42(53)30-44(60-45(40)29-36)34-12-17-38(18-13-34)57-23-6-9-37-31-52(51-50-37)22-24-55-25-26-56-27-28-58-39-19-14-35(15-20-39)47-48(59-32-33-7-2-1-3-8-33)46(54)41-10-4-5-11-43(41)61-47/h1-5,7-8,10-21,29-31H,6,9,22-28,32H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	344	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))	BDBM50505469 (CHEMBL4284487) Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3oc4ccccc4c(=O)c3OCc3ccccc3)nn2)cc1 Show InChI InChI=1S/C48H42FN3O9/c49-36-16-21-40-42(53)30-44(60-45(40)29-36)34-12-17-38(18-13-34)57-23-6-9-37-31-52(51-50-37)22-24-55-25-26-56-27-28-58-39-19-14-35(15-20-39)47-48(59-32-33-7-2-1-3-8-33)46(54)41-10-4-5-11-43(41)61-47/h1-5,7-8,10-21,29-31H,6,9,22-28,32H2	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	47	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
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50505469 (CHEMBL4284487) Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3oc4ccccc4c(=O)c3OCc3ccccc3)nn2)cc1 Show InChI InChI=1S/C48H42FN3O9/c49-36-16-21-40-42(53)30-44(60-45(40)29-36)34-12-17-38(18-13-34)57-23-6-9-37-31-52(51-50-37)22-24-55-25-26-56-27-28-58-39-19-14-35(15-20-39)47-48(59-32-33-7-2-1-3-8-33)46(54)41-10-4-5-11-43(41)61-47/h1-5,7-8,10-21,29-31H,6,9,22-28,32H2	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	25	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