BDBM50505479 CHEMBL4435733

SMILES: COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(COCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1

InChI Key: InChIKey=ZUQGKEKPWJBUSX-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 = 50505479   

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-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50505479 (CHEMBL4435733) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(COCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C48H41N3O11/c1-55-48(54)35-11-7-8-32(26-35)30-60-47-45(53)40-12-5-6-13-42(40)62-46(47)34-14-16-37(17-15-34)58-24-22-56-21-20-51-29-36(49-50-51)31-57-23-25-59-38-18-19-39-41(52)28-43(61-44(39)27-38)33-9-3-2-4-10-33/h2-19,26-29H,20-25,30-31H2,1H3	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	4.10	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))	BDBM50505479 (CHEMBL4435733) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(COCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C48H41N3O11/c1-55-48(54)35-11-7-8-32(26-35)30-60-47-45(53)40-12-5-6-13-42(40)62-46(47)34-14-16-37(17-15-34)58-24-22-56-21-20-51-29-36(49-50-51)31-57-23-25-59-38-18-19-39-41(52)28-43(61-44(39)27-38)33-9-3-2-4-10-33/h2-19,26-29H,20-25,30-31H2,1H3	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	437	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 protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50505479 (CHEMBL4435733) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(COCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C48H41N3O11/c1-55-48(54)35-11-7-8-32(26-35)30-60-47-45(53)40-12-5-6-13-42(40)62-46(47)34-14-16-37(17-15-34)58-24-22-56-21-20-51-29-36(49-50-51)31-57-23-25-59-38-18-19-39-41(52)28-43(61-44(39)27-38)33-9-3-2-4-10-33/h2-19,26-29H,20-25,30-31H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	135	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))	BDBM50505479 (CHEMBL4435733) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(COCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C48H41N3O11/c1-55-48(54)35-11-7-8-32(26-35)30-60-47-45(53)40-12-5-6-13-42(40)62-46(47)34-14-16-37(17-15-34)58-24-22-56-21-20-51-29-36(49-50-51)31-57-23-25-59-38-18-19-39-41(52)28-43(61-44(39)27-38)33-9-3-2-4-10-33/h2-19,26-29H,20-25,30-31H2,1H3	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