BindingDB PrimarySearch

BDBM50241472 CHEMBL442464::N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)-2-nitrobenzamide::N-{4-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl}-2-nitrobenzamide

SMILES: COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4[N+]([O-])=O)cc3)Cc2cc1OC

InChI Key: InChIKey=OPEFHOQGDRRMFK-UHFFFAOYSA-N

Data: 6 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50241472
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))	BDBM50241472 (CHEMBL442464 \| N-(4-(2-(6,7-dimethoxy-3,4-dihydroi...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MDCK cells by pheophorbide A assay				Bioorg Med Chem Lett 20: 180-3 (2010) Article DOI: 10.1016/j.bmcl.2009.11.004 BindingDB Entry DOI: 10.7270/Q2G73DT7
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50241472 (CHEMBL442464 \| N-(4-(2-(6,7-dimethoxy-3,4-dihydroi...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MDCK cells by pheophorbide A assay				Bioorg Med Chem Lett 20: 180-3 (2010) Article DOI: 10.1016/j.bmcl.2009.11.004 BindingDB Entry DOI: 10.7270/Q2G73DT7
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50241472 (CHEMBL442464 \| N-(4-(2-(6,7-dimethoxy-3,4-dihydroi...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated multidrug resistance in adriamycin-resistant human A2780/ADR cells by calcein AM assay				Bioorg Med Chem 17: 2524-35 (2009) Article DOI: 10.1016/j.bmc.2009.01.072 BindingDB Entry DOI: 10.7270/Q2X63QS6
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50241472 (CHEMBL442464 \| N-(4-(2-(6,7-dimethoxy-3,4-dihydroi...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.79E+3	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))	BDBM50241472 (CHEMBL442464 \| N-(4-(2-(6,7-dimethoxy-3,4-dihydroi...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+5	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
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50241472 (CHEMBL442464 \| N-(4-(2-(6,7-dimethoxy-3,4-dihydroi...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.50E+3	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