BDBM50465862 CHEMBL4280596

SMILES: Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1

InChI Key: InChIKey=DWLVLNYDJFNVON-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 = 50465862   

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))	BDBM50465862 (CHEMBL4280596) Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C48H43FN4O8/c49-37-13-18-45-42(27-37)44(55)30-47(60-45)36-11-14-39(15-12-36)59-26-25-57-24-23-56-21-20-53-33-38(50-51-53)32-52(31-34-7-3-1-4-8-34)19-22-58-40-16-17-41-43(54)29-46(61-48(41)28-40)35-9-5-2-6-10-35/h1-18,27-30,33H,19-26,31-32H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	156	n/a	n/a	n/a	n/a
Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...				J Med Chem 61: 9931-9951 (2018) Article DOI: 10.1021/acs.jmedchem.8b00834 BindingDB Entry DOI: 10.7270/Q2RX9FRD
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50465862 (CHEMBL4280596) Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C48H43FN4O8/c49-37-13-18-45-42(27-37)44(55)30-47(60-45)36-11-14-39(15-12-36)59-26-25-57-24-23-56-21-20-53-33-38(50-51-53)32-52(31-34-7-3-1-4-8-34)19-22-58-40-16-17-41-43(54)29-46(61-48(41)28-40)35-9-5-2-6-10-35/h1-18,27-30,33H,19-26,31-32H2	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	334	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))	BDBM50465862 (CHEMBL4280596) Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C48H43FN4O8/c49-37-13-18-45-42(27-37)44(55)30-47(60-45)36-11-14-39(15-12-36)59-26-25-57-24-23-56-21-20-53-33-38(50-51-53)32-52(31-34-7-3-1-4-8-34)19-22-58-40-16-17-41-43(54)29-46(61-48(41)28-40)35-9-5-2-6-10-35/h1-18,27-30,33H,19-26,31-32H2	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	27	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
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50465862 (CHEMBL4280596) Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C48H43FN4O8/c49-37-13-18-45-42(27-37)44(55)30-47(60-45)36-11-14-39(15-12-36)59-26-25-57-24-23-56-21-20-53-33-38(50-51-53)32-52(31-34-7-3-1-4-8-34)19-22-58-40-16-17-41-43(54)29-46(61-48(41)28-40)35-9-5-2-6-10-35/h1-18,27-30,33H,19-26,31-32H2	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	20	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