BDBM50505430 CHEMBL4552591

SMILES: Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCN(CCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)Cc3ccccc3)nn2)cc1

InChI Key: InChIKey=DCSFLKGBUGEIHI-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 = 50505430   

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))	BDBM50505430 (CHEMBL4552591) Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCN(CCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C48H44N4O6/c1-34-14-23-46-42(29-34)44(54)31-48(58-46)37-15-19-39(20-16-37)55-27-8-7-11-38-33-52(50-49-38)25-24-51(32-35-9-3-2-4-10-35)26-28-56-40-21-17-36(18-22-40)47-30-43(53)41-12-5-6-13-45(41)57-47/h2-6,9-10,12-23,29-31,33H,7-8,11,24-28,32H2,1H3	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	70	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))	BDBM50505430 (CHEMBL4552591) Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCN(CCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C48H44N4O6/c1-34-14-23-46-42(29-34)44(54)31-48(58-46)37-15-19-39(20-16-37)55-27-8-7-11-38-33-52(50-49-38)25-24-51(32-35-9-3-2-4-10-35)26-28-56-40-21-17-36(18-22-40)47-30-43(53)41-12-5-6-13-45(41)57-47/h2-6,9-10,12-23,29-31,33H,7-8,11,24-28,32H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	238	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))	BDBM50505430 (CHEMBL4552591) Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCN(CCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C48H44N4O6/c1-34-14-23-46-42(29-34)44(54)31-48(58-46)37-15-19-39(20-16-37)55-27-8-7-11-38-33-52(50-49-38)25-24-51(32-35-9-3-2-4-10-35)26-28-56-40-21-17-36(18-22-40)47-30-43(53)41-12-5-6-13-45(41)57-47/h2-6,9-10,12-23,29-31,33H,7-8,11,24-28,32H2,1H3	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	39	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))	BDBM50505430 (CHEMBL4552591) Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCN(CCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C48H44N4O6/c1-34-14-23-46-42(29-34)44(54)31-48(58-46)37-15-19-39(20-16-37)55-27-8-7-11-38-33-52(50-49-38)25-24-51(32-35-9-3-2-4-10-35)26-28-56-40-21-17-36(18-22-40)47-30-43(53)41-12-5-6-13-45(41)57-47/h2-6,9-10,12-23,29-31,33H,7-8,11,24-28,32H2,1H3	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	679	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