null

SMILES: Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

InChI Key: InChIKey=STLVHIWKDXQFLB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50505472   

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
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50505472 (CHEMBL4293915) Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C43H41N3O8/c1-30-10-17-40-37(25-30)39(48)28-42(53-40)32-11-13-34(14-12-32)51-19-6-5-9-33-29-46(45-44-33)18-20-49-21-22-50-23-24-52-35-15-16-36-38(47)27-41(54-43(36)26-35)31-7-3-2-4-8-31/h2-4,7-8,10-17,25-29H,5-6,9,18-24H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	141	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))	BDBM50505472 (CHEMBL4293915) Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C43H41N3O8/c1-30-10-17-40-37(25-30)39(48)28-42(53-40)32-11-13-34(14-12-32)51-19-6-5-9-33-29-46(45-44-33)18-20-49-21-22-50-23-24-52-35-15-16-36-38(47)27-41(54-43(36)26-35)31-7-3-2-4-8-31/h2-4,7-8,10-17,25-29H,5-6,9,18-24H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	134	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))	BDBM50505472 (CHEMBL4293915) Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C43H41N3O8/c1-30-10-17-40-37(25-30)39(48)28-42(53-40)32-11-13-34(14-12-32)51-19-6-5-9-33-29-46(45-44-33)18-20-49-21-22-50-23-24-52-35-15-16-36-38(47)27-41(54-43(36)26-35)31-7-3-2-4-8-31/h2-4,7-8,10-17,25-29H,5-6,9,18-24H2,1H3	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	32	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
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50505472 (CHEMBL4293915) Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C43H41N3O8/c1-30-10-17-40-37(25-30)39(48)28-42(53-40)32-11-13-34(14-12-32)51-19-6-5-9-33-29-46(45-44-33)18-20-49-21-22-50-23-24-52-35-15-16-36-38(47)27-41(54-43(36)26-35)31-7-3-2-4-8-31/h2-4,7-8,10-17,25-29H,5-6,9,18-24H2,1H3	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	151	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