BDBM50465866 CHEMBL4283444

SMILES: Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc(cc3)-c3cc(=O)c4ccc(F)cc4o3)nn2)cc1

InChI Key: InChIKey=JFTBOWJBXHUWIT-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 = 50465866   

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))	BDBM50465866 (CHEMBL4283444) Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc(cc3)-c3cc(=O)c4ccc(F)cc4o3)nn2)cc1 Show InChI InChI=1S/C42H38FN3O8/c1-28-4-15-39-36(23-28)38(48)26-40(53-39)29-7-12-34(13-8-29)52-22-21-50-20-19-49-18-16-46-27-32(44-45-46)3-2-17-51-33-10-5-30(6-11-33)41-25-37(47)35-14-9-31(43)24-42(35)54-41/h4-15,23-27H,2-3,16-22H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	121	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))	BDBM50465866 (CHEMBL4283444) Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc(cc3)-c3cc(=O)c4ccc(F)cc4o3)nn2)cc1 Show InChI InChI=1S/C42H38FN3O8/c1-28-4-15-39-36(23-28)38(48)26-40(53-39)29-7-12-34(13-8-29)52-22-21-50-20-19-49-18-16-46-27-32(44-45-46)3-2-17-51-33-10-5-30(6-11-33)41-25-37(47)35-14-9-31(43)24-42(35)54-41/h4-15,23-27H,2-3,16-22H2,1H3	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	219	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))	BDBM50465866 (CHEMBL4283444) Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc(cc3)-c3cc(=O)c4ccc(F)cc4o3)nn2)cc1 Show InChI InChI=1S/C42H38FN3O8/c1-28-4-15-39-36(23-28)38(48)26-40(53-39)29-7-12-34(13-8-29)52-22-21-50-20-19-49-18-16-46-27-32(44-45-46)3-2-17-51-33-10-5-30(6-11-33)41-25-37(47)35-14-9-31(43)24-42(35)54-41/h4-15,23-27H,2-3,16-22H2,1H3	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	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
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50465866 (CHEMBL4283444) Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc(cc3)-c3cc(=O)c4ccc(F)cc4o3)nn2)cc1 Show InChI InChI=1S/C42H38FN3O8/c1-28-4-15-39-36(23-28)38(48)26-40(53-39)29-7-12-34(13-8-29)52-22-21-50-20-19-49-18-16-46-27-32(44-45-46)3-2-17-51-33-10-5-30(6-11-33)41-25-37(47)35-14-9-31(43)24-42(35)54-41/h4-15,23-27H,2-3,16-22H2,1H3	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	14	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