BDBM50505446 CHEMBL4283756

SMILES: O=c1cc(oc2cc(OCCOCc3cn(CCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1

InChI Key: InChIKey=YDKSMTZVBRGHKI-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 = 50505446   

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-associated protein 1 (Homo sapiens (Human))	BDBM50505446 (CHEMBL4283756) Show SMILES O=c1cc(oc2cc(OCCOCc3cn(CCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C46H39N3O9/c50-40-28-42(33-11-5-2-6-12-33)57-43-27-37(19-20-38(40)43)55-26-24-53-31-35-29-49(48-47-35)21-22-52-23-25-54-36-17-15-34(16-18-36)45-46(56-30-32-9-3-1-4-10-32)44(51)39-13-7-8-14-41(39)58-45/h1-20,27-29H,21-26,30-31H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	184	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-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50505446 (CHEMBL4283756) Show SMILES O=c1cc(oc2cc(OCCOCc3cn(CCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C46H39N3O9/c50-40-28-42(33-11-5-2-6-12-33)57-43-27-37(19-20-38(40)43)55-26-24-53-31-35-29-49(48-47-35)21-22-52-23-25-54-36-17-15-34(16-18-36)45-46(56-30-32-9-3-1-4-10-32)44(51)39-13-7-8-14-41(39)58-45/h1-20,27-29H,21-26,30-31H2	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	345	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
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50505446 (CHEMBL4283756) Show SMILES O=c1cc(oc2cc(OCCOCc3cn(CCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C46H39N3O9/c50-40-28-42(33-11-5-2-6-12-33)57-43-27-37(19-20-38(40)43)55-26-24-53-31-35-29-49(48-47-35)21-22-52-23-25-54-36-17-15-34(16-18-36)45-46(56-30-32-9-3-1-4-10-32)44(51)39-13-7-8-14-41(39)58-45/h1-20,27-29H,21-26,30-31H2	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	118	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
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50505446 (CHEMBL4283756) Show SMILES O=c1cc(oc2cc(OCCOCc3cn(CCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C46H39N3O9/c50-40-28-42(33-11-5-2-6-12-33)57-43-27-37(19-20-38(40)43)55-26-24-53-31-35-29-49(48-47-35)21-22-52-23-25-54-36-17-15-34(16-18-36)45-46(56-30-32-9-3-1-4-10-32)44(51)39-13-7-8-14-41(39)58-45/h1-20,27-29H,21-26,30-31H2	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	17	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