BDBM50505475 CHEMBL4290896

SMILES: Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

InChI Key: InChIKey=ACTUKRWKENIPCH-UHFFFAOYSA-N

Data: 4 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50505475   

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 protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50505475 (CHEMBL4290896) Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C40H34FN3O7/c41-29-11-16-37-34(22-29)36(46)25-39(50-37)28-9-12-31(13-10-28)49-21-20-47-19-17-44-26-30(42-43-44)8-4-5-18-48-32-14-15-33-35(45)24-38(51-40(33)23-32)27-6-2-1-3-7-27/h1-3,6-7,9-16,22-26H,4-5,8,17-21H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	264	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
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50505475 (CHEMBL4290896) Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C40H34FN3O7/c41-29-11-16-37-34(22-29)36(46)25-39(50-37)28-9-12-31(13-10-28)49-21-20-47-19-17-44-26-30(42-43-44)8-4-5-18-48-32-14-15-33-35(45)24-38(51-40(33)23-32)27-6-2-1-3-7-27/h1-3,6-7,9-16,22-26H,4-5,8,17-21H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	43	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 protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50505475 (CHEMBL4290896) Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C40H34FN3O7/c41-29-11-16-37-34(22-29)36(46)25-39(50-37)28-9-12-31(13-10-28)49-21-20-47-19-17-44-26-30(42-43-44)8-4-5-18-48-32-14-15-33-35(45)24-38(51-40(33)23-32)27-6-2-1-3-7-27/h1-3,6-7,9-16,22-26H,4-5,8,17-21H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	172	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-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50505475 (CHEMBL4290896) Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C40H34FN3O7/c41-29-11-16-37-34(22-29)36(46)25-39(50-37)28-9-12-31(13-10-28)49-21-20-47-19-17-44-26-30(42-43-44)8-4-5-18-48-32-14-15-33-35(45)24-38(51-40(33)23-32)27-6-2-1-3-7-27/h1-3,6-7,9-16,22-26H,4-5,8,17-21H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	18	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