null

SMILES: O=c1cc(oc2cc(OCCN(Cc3cn(CCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)Cc3ccccc3)ccc12)-c1ccccc1

InChI Key: InChIKey=PRPJLTBJAUNPBJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50505486   

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))	BDBM50505486 (CHEMBL4540601) Show SMILES O=c1cc(oc2cc(OCCN(Cc3cn(CCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)Cc3ccccc3)ccc12)-c1ccccc1 Show InChI InChI=1S/C44H36N4O6/c49-39-26-41(32-12-6-2-7-13-32)53-43-24-35(16-18-37(39)43)51-22-20-47(28-31-10-4-1-5-11-31)29-34-30-48(46-45-34)21-23-52-36-17-19-38-40(50)27-42(54-44(38)25-36)33-14-8-3-9-15-33/h1-19,24-27,30H,20-23,28-29H2	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	280	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))	BDBM50505486 (CHEMBL4540601) Show SMILES O=c1cc(oc2cc(OCCN(Cc3cn(CCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)Cc3ccccc3)ccc12)-c1ccccc1 Show InChI InChI=1S/C44H36N4O6/c49-39-26-41(32-12-6-2-7-13-32)53-43-24-35(16-18-37(39)43)51-22-20-47(28-31-10-4-1-5-11-31)29-34-30-48(46-45-34)21-23-52-36-17-19-38-40(50)27-42(54-44(38)25-36)33-14-8-3-9-15-33/h1-19,24-27,30H,20-23,28-29H2	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	190	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))	BDBM50505486 (CHEMBL4540601) Show SMILES O=c1cc(oc2cc(OCCN(Cc3cn(CCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)Cc3ccccc3)ccc12)-c1ccccc1 Show InChI InChI=1S/C44H36N4O6/c49-39-26-41(32-12-6-2-7-13-32)53-43-24-35(16-18-37(39)43)51-22-20-47(28-31-10-4-1-5-11-31)29-34-30-48(46-45-34)21-23-52-36-17-19-38-40(50)27-42(54-44(38)25-36)33-14-8-3-9-15-33/h1-19,24-27,30H,20-23,28-29H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	670	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))	BDBM50505486 (CHEMBL4540601) Show SMILES O=c1cc(oc2cc(OCCN(Cc3cn(CCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)Cc3ccccc3)ccc12)-c1ccccc1 Show InChI InChI=1S/C44H36N4O6/c49-39-26-41(32-12-6-2-7-13-32)53-43-24-35(16-18-37(39)43)51-22-20-47(28-31-10-4-1-5-11-31)29-34-30-48(46-45-34)21-23-52-36-17-19-38-40(50)27-42(54-44(38)25-36)33-14-8-3-9-15-33/h1-19,24-27,30H,20-23,28-29H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	897	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