BDBM50465856 CHEMBL4280256

SMILES: O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

InChI Key: InChIKey=BNOPLGZBEMRHAD-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 = 50465856   

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))	BDBM50465856 (CHEMBL4280256) Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C40H35N3O7/c44-35-25-39(49-37-12-5-4-11-33(35)37)29-13-15-31(16-14-29)48-23-22-46-21-19-43-27-30(41-42-43)10-6-7-20-47-32-17-18-34-36(45)26-38(50-40(34)24-32)28-8-2-1-3-9-28/h1-5,8-9,11-18,24-27H,6-7,10,19-23H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	87	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))	BDBM50465856 (CHEMBL4280256) Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C40H35N3O7/c44-35-25-39(49-37-12-5-4-11-33(35)37)29-13-15-31(16-14-29)48-23-22-46-21-19-43-27-30(41-42-43)10-6-7-20-47-32-17-18-34-36(45)26-38(50-40(34)24-32)28-8-2-1-3-9-28/h1-5,8-9,11-18,24-27H,6-7,10,19-23H2	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	25	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
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50465856 (CHEMBL4280256) Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C40H35N3O7/c44-35-25-39(49-37-12-5-4-11-33(35)37)29-13-15-31(16-14-29)48-23-22-46-21-19-43-27-30(41-42-43)10-6-7-20-47-32-17-18-34-36(45)26-38(50-40(34)24-32)28-8-2-1-3-9-28/h1-5,8-9,11-18,24-27H,6-7,10,19-23H2	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	52	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))	BDBM50465856 (CHEMBL4280256) Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C40H35N3O7/c44-35-25-39(49-37-12-5-4-11-33(35)37)29-13-15-31(16-14-29)48-23-22-46-21-19-43-27-30(41-42-43)10-6-7-20-47-32-17-18-34-36(45)26-38(50-40(34)24-32)28-8-2-1-3-9-28/h1-5,8-9,11-18,24-27H,6-7,10,19-23H2	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	321	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