BDBM50505477 CHEMBL4283151

SMILES: O=c1cc(oc2cc(OCCCCc3cn(CCOCCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1

InChI Key: InChIKey=HXSDNANCIHFWIT-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 = 50505477   

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))	BDBM50505477 (CHEMBL4283151) Show SMILES O=c1cc(oc2cc(OCCCCc3cn(CCOCCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C42H39N3O8/c46-37-27-39(30-9-3-1-4-10-30)52-41-25-33(14-16-35(37)41)50-19-8-7-13-32-29-45(44-43-32)18-20-48-21-22-49-23-24-51-34-15-17-36-38(47)28-40(53-42(36)26-34)31-11-5-2-6-12-31/h1-6,9-12,14-17,25-29H,7-8,13,18-24H2	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	47	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
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50505477 (CHEMBL4283151) Show SMILES O=c1cc(oc2cc(OCCCCc3cn(CCOCCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C42H39N3O8/c46-37-27-39(30-9-3-1-4-10-30)52-41-25-33(14-16-35(37)41)50-19-8-7-13-32-29-45(44-43-32)18-20-48-21-22-49-23-24-51-34-15-17-36-38(47)28-40(53-42(36)26-34)31-11-5-2-6-12-31/h1-6,9-12,14-17,25-29H,7-8,13,18-24H2	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	94	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))	BDBM50505477 (CHEMBL4283151) Show SMILES O=c1cc(oc2cc(OCCCCc3cn(CCOCCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C42H39N3O8/c46-37-27-39(30-9-3-1-4-10-30)52-41-25-33(14-16-35(37)41)50-19-8-7-13-32-29-45(44-43-32)18-20-48-21-22-49-23-24-51-34-15-17-36-38(47)28-40(53-42(36)26-34)31-11-5-2-6-12-31/h1-6,9-12,14-17,25-29H,7-8,13,18-24H2	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	288	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))	BDBM50505477 (CHEMBL4283151) Show SMILES O=c1cc(oc2cc(OCCCCc3cn(CCOCCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C42H39N3O8/c46-37-27-39(30-9-3-1-4-10-30)52-41-25-33(14-16-35(37)41)50-19-8-7-13-32-29-45(44-43-32)18-20-48-21-22-49-23-24-51-34-15-17-36-38(47)28-40(53-42(36)26-34)31-11-5-2-6-12-31/h1-6,9-12,14-17,25-29H,7-8,13,18-24H2	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