BDBM50429195 CHEMBL260505

SMILES: COc1cc2CCN(Cc3ccc(cc3)-c3ccc(O)cc3)Cc2cc1OC

InChI Key: InChIKey=ATYXTVKHMLAWBZ-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50429195   

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))	BDBM50429195 (CHEMBL260505) Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(O)cc3)Cc2cc1OC Show InChI InChI=1S/C24H25NO3/c1-27-23-13-20-11-12-25(16-21(20)14-24(23)28-2)15-17-3-5-18(6-4-17)19-7-9-22(26)10-8-19/h3-10,13-14,26H,11-12,15-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"A. Moro" Curated by ChEMBL					Assay Description Inhibition of MRP1 (unknown origin) over-expressed in MDCK cells assessed as calcein accumulation incubated for 30 mins prior to Calcein-AM addition ...				J Med Chem 57: 9983-94 (2014) Article DOI: 10.1021/jm501640e BindingDB Entry DOI: 10.7270/Q2K9394N
					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50429195 (CHEMBL260505) Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(O)cc3)Cc2cc1OC Show InChI InChI=1S/C24H25NO3/c1-27-23-13-20-11-12-25(16-21(20)14-24(23)28-2)15-17-3-5-18(6-4-17)19-7-9-22(26)10-8-19/h3-10,13-14,26H,11-12,15-16H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"A. Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) over-expressed in MDCK cells assessed as calcein accumulation incubated for 30 mins prior to Calcein-AM addition ...				J Med Chem 57: 9983-94 (2014) Article DOI: 10.1021/jm501640e BindingDB Entry DOI: 10.7270/Q2K9394N
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50429195 (CHEMBL260505) Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(O)cc3)Cc2cc1OC Show InChI InChI=1S/C24H25NO3/c1-27-23-13-20-11-12-25(16-21(20)14-24(23)28-2)15-17-3-5-18(6-4-17)19-7-9-22(26)10-8-19/h3-10,13-14,26H,11-12,15-16H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Activity at BCRP (unknown origin) expressed in MDCK cells assessed as interference with rhodamine-123 efflux				Bioorg Med Chem 21: 1324-32 (2013) Article DOI: 10.1016/j.bmc.2012.12.021 BindingDB Entry DOI: 10.7270/Q2HH6MDJ
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50429195 (CHEMBL260505) Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(O)cc3)Cc2cc1OC Show InChI InChI=1S/C24H25NO3/c1-27-23-13-20-11-12-25(16-21(20)14-24(23)28-2)15-17-3-5-18(6-4-17)19-7-9-22(26)10-8-19/h3-10,13-14,26H,11-12,15-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Activity at MRP1 (unknown origin) expressed in MDCK cells assessed as interference calcein-AM efflux incubated for 30 mins prior to calcein-Am additi...				Bioorg Med Chem 21: 1324-32 (2013) Article DOI: 10.1016/j.bmc.2012.12.021 BindingDB Entry DOI: 10.7270/Q2HH6MDJ
					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50429195 (CHEMBL260505) Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(O)cc3)Cc2cc1OC Show InChI InChI=1S/C24H25NO3/c1-27-23-13-20-11-12-25(16-21(20)14-24(23)28-2)15-17-3-5-18(6-4-17)19-7-9-22(26)10-8-19/h3-10,13-14,26H,11-12,15-16H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Activity at MDR1 (unknown origin) expressed in MDCK cells assessed as interference with calcein-AM efflux incubated for 30 mins prior to calcein-Am a...				Bioorg Med Chem 21: 1324-32 (2013) Article DOI: 10.1016/j.bmc.2012.12.021 BindingDB Entry DOI: 10.7270/Q2HH6MDJ
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50429195 (CHEMBL260505) Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(O)cc3)Cc2cc1OC Show InChI InChI=1S/C24H25NO3/c1-27-23-13-20-11-12-25(16-21(20)14-24(23)28-2)15-17-3-5-18(6-4-17)19-7-9-22(26)10-8-19/h3-10,13-14,26H,11-12,15-16H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of BCRP (unknown origin) expressed in MDCK cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins followed by Hoechs...				J Med Chem 62: 974-986 (2019) Article DOI: 10.1021/acs.jmedchem.8b01655
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50429195 (CHEMBL260505) Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(O)cc3)Cc2cc1OC Show InChI InChI=1S/C24H25NO3/c1-27-23-13-20-11-12-25(16-21(20)14-24(23)28-2)15-17-3-5-18(6-4-17)19-7-9-22(26)10-8-19/h3-10,13-14,26H,11-12,15-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of MRP1 (unknown origin) expressed in MDCK cells assessed as increase in calcein-AM accumulation incubated for 30 mins by calcein-AM dye b...				J Med Chem 62: 974-986 (2019) Article DOI: 10.1021/acs.jmedchem.8b01655
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50429195 (CHEMBL260505) Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(O)cc3)Cc2cc1OC Show InChI InChI=1S/C24H25NO3/c1-27-23-13-20-11-12-25(16-21(20)14-24(23)28-2)15-17-3-5-18(6-4-17)19-7-9-22(26)10-8-19/h3-10,13-14,26H,11-12,15-16H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of BCRP (unknown origin) expressed in MDCK cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins followed by Hoechs...				J Med Chem 62: 974-986 (2019) Article DOI: 10.1021/acs.jmedchem.8b01655
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50429195 (CHEMBL260505) Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(O)cc3)Cc2cc1OC Show InChI InChI=1S/C24H25NO3/c1-27-23-13-20-11-12-25(16-21(20)14-24(23)28-2)15-17-3-5-18(6-4-17)19-7-9-22(26)10-8-19/h3-10,13-14,26H,11-12,15-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of MRP1 (unknown origin) expressed in MDCK cells assessed as increase in calcein-AM accumulation incubated for 30 mins by calcein-AM dye b...				J Med Chem 62: 974-986 (2019) Article DOI: 10.1021/acs.jmedchem.8b01655
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50429195 (CHEMBL260505) Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(O)cc3)Cc2cc1OC Show InChI InChI=1S/C24H25NO3/c1-27-23-13-20-11-12-25(16-21(20)14-24(23)28-2)15-17-3-5-18(6-4-17)19-7-9-22(26)10-8-19/h3-10,13-14,26H,11-12,15-16H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as increase in calcein-AM accumulation after 30 mins by calcein-AM dye based flu...				J Med Chem 62: 974-986 (2019) Article DOI: 10.1021/acs.jmedchem.8b01655
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50429195 (CHEMBL260505) Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(O)cc3)Cc2cc1OC Show InChI InChI=1S/C24H25NO3/c1-27-23-13-20-11-12-25(16-21(20)14-24(23)28-2)15-17-3-5-18(6-4-17)19-7-9-22(26)10-8-19/h3-10,13-14,26H,11-12,15-16H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as increase in calcein-AM accumulation after 30 mins by calcein-AM dye based flu...				J Med Chem 62: 974-986 (2019) Article DOI: 10.1021/acs.jmedchem.8b01655
					More data for this Ligand-Target Pair