BDBM50465855 CHEMBL4293130

SMILES: Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1

InChI Key: InChIKey=UCQGLPGXMPPVIB-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 = 50465855   

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))	BDBM50465855 (CHEMBL4293130) Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C46H39FN4O7/c47-35-13-18-43-40(25-35)42(53)28-45(57-43)34-11-14-37(15-12-34)56-24-23-54-21-20-51-31-36(48-49-51)30-50(29-32-7-3-1-4-8-32)19-22-55-38-16-17-39-41(52)27-44(58-46(39)26-38)33-9-5-2-6-10-33/h1-18,25-28,31H,19-24,29-30H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	155	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
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50465855 (CHEMBL4293130) Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C46H39FN4O7/c47-35-13-18-43-40(25-35)42(53)28-45(57-43)34-11-14-37(15-12-34)56-24-23-54-21-20-51-31-36(48-49-51)30-50(29-32-7-3-1-4-8-32)19-22-55-38-16-17-39-41(52)27-44(58-46(39)26-38)33-9-5-2-6-10-33/h1-18,25-28,31H,19-24,29-30H2	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	54	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
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50465855 (CHEMBL4293130) Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C46H39FN4O7/c47-35-13-18-43-40(25-35)42(53)28-45(57-43)34-11-14-37(15-12-34)56-24-23-54-21-20-51-31-36(48-49-51)30-50(29-32-7-3-1-4-8-32)19-22-55-38-16-17-39-41(52)27-44(58-46(39)26-38)33-9-5-2-6-10-33/h1-18,25-28,31H,19-24,29-30H2	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	285	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))	BDBM50465855 (CHEMBL4293130) Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C46H39FN4O7/c47-35-13-18-43-40(25-35)42(53)28-45(57-43)34-11-14-37(15-12-34)56-24-23-54-21-20-51-31-36(48-49-51)30-50(29-32-7-3-1-4-8-32)19-22-55-38-16-17-39-41(52)27-44(58-46(39)26-38)33-9-5-2-6-10-33/h1-18,25-28,31H,19-24,29-30H2	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	48	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