BindingDB PrimarySearch

BDBM50375813 CHEMBL428402::XR-9577

SMILES: O=C(Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3ccccc3C2)cc1)c1cnc2ccccc2c1

InChI Key: InChIKey=JCKRZMGEVAGHHV-UHFFFAOYSA-N

Data: 19 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50375813
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	721	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1...				J Med Chem 58: 3910-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	704	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux pre-incubated for 30 mins before Hoechst 33342 addit...				J Med Chem 59: 6121-35 (2016) Article DOI: 10.1021/acs.jmedchem.6b00035
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assay				Bioorg Med Chem 15: 7470-9 (2007) Article DOI: 10.1016/j.bmc.2007.07.024 BindingDB Entry DOI: 10.7270/Q20V8F0N
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	355	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein by Hoechst assay				Bioorg Med Chem 15: 7470-9 (2007) Article DOI: 10.1016/j.bmc.2007.07.024 BindingDB Entry DOI: 10.7270/Q20V8F0N
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b) (Mus musculus)	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of mouse Pgp in EMT6/AR1.0 cells after 1 hr by daunorubicin accumulation assay				Bioorg Med Chem 16: 2448-62 (2008) Article DOI: 10.1016/j.bmc.2007.11.057 BindingDB Entry DOI: 10.7270/Q2QN67PT
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	355	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human Pgp in A2780 cells after 30 mins by Hoechst 33342 assay				Bioorg Med Chem 16: 2448-62 (2008) Article DOI: 10.1016/j.bmc.2007.11.057 BindingDB Entry DOI: 10.7270/Q2QN67PT
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	447	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human Pgp in A2780 cells after 30 mins by calcein AM assay				Bioorg Med Chem 16: 2448-62 (2008) Article DOI: 10.1016/j.bmc.2007.11.057 BindingDB Entry DOI: 10.7270/Q2QN67PT
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay				Bioorg Med Chem 16: 8224-36 (2008) Article DOI: 10.1016/j.bmc.2008.07.034 BindingDB Entry DOI: 10.7270/Q2765GK5
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	832	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay using linear regression analysis				Bioorg Med Chem 16: 8224-36 (2008) Article DOI: 10.1016/j.bmc.2008.07.034 BindingDB Entry DOI: 10.7270/Q2765GK5
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	676	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay using one phase exponential association analysis				Bioorg Med Chem 16: 8224-36 (2008) Article DOI: 10.1016/j.bmc.2008.07.034 BindingDB Entry DOI: 10.7270/Q2765GK5
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	704	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universit£t Bonn Curated by ChEMBL					Assay Description Inhibition of recombinant human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins follo...				Eur J Med Chem 124: 881-895 (2016) Article DOI: 10.1016/j.ejmech.2016.09.010 BindingDB Entry DOI: 10.7270/Q28P62HT
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	741	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universit£t Bonn Curated by ChEMBL					Assay Description Inhibition of recombinant human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in pheophorbide A efflux preincubated for 30 mins foll...				Eur J Med Chem 124: 881-895 (2016) Article DOI: 10.1016/j.ejmech.2016.09.010 BindingDB Entry DOI: 10.7270/Q28P62HT
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	704	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universit£t Bonn Curated by ChEMBL					Assay Description Inhibition of C-terminal GFP-fused human ABCG2 expressed in MDCK2 cells preincubated for 30 mins followed by Hoechst 33342 addition and measured ever...				Eur J Med Chem 146: 483-500 (2018) Article DOI: 10.1016/j.ejmech.2018.01.012 BindingDB Entry DOI: 10.7270/Q2J67KJH
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	704	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu...				J Med Chem 59: 5449-61 (2016) Article DOI: 10.1021/acs.jmedchem.6b00330
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	704	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu...				J Med Chem 59: 5449-61 (2016) Article DOI: 10.1021/acs.jmedchem.6b00330
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	741	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Pheophorbide A addition by Pheophorbide A as...				J Med Chem 59: 5449-61 (2016) Article DOI: 10.1021/acs.jmedchem.6b00330
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	741	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Pheophorbide A addition by Pheophorbide A as...				J Med Chem 59: 5449-61 (2016) Article DOI: 10.1021/acs.jmedchem.6b00330
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	741	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human ABCG2 expressed in MDCK2 cells assessed as reduction in pheophorbide A efflux pre-incubated for 30 mins before Hoechst 33342 addi...				J Med Chem 59: 6121-35 (2016) Article DOI: 10.1021/acs.jmedchem.6b00035
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50375813 (CHEMBL428402 \| XR-9577) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDCK-MDR1 cells by calcein AM assay				Bioorg Med Chem 15: 7470-9 (2007) Article DOI: 10.1016/j.bmc.2007.07.024 BindingDB Entry DOI: 10.7270/Q20V8F0N
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair