BindingDB PrimarySearch

BDBM50375810 CHEMBL346292::XR-9456

SMILES: COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)c4ccccc4)cc3)Cc2cc1OC

InChI Key: InChIKey=AEXVPZYELNSRFS-UHFFFAOYSA-N

Data: 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50375810
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
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50375810 (CHEMBL346292 \| XR-9456) 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	513	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 (Homo sapiens (Human))	BDBM50375810 (CHEMBL346292 \| XR-9456) 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	9.77E+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
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50375810 (CHEMBL346292 \| XR-9456) 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	851	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
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50375810 (CHEMBL346292 \| XR-9456) 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	3.98E+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
P-glycoprotein 1 and 3 (MDR1a/MDR1b) (Mus musculus)	BDBM50375810 (CHEMBL346292 \| XR-9456) 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	300	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))	BDBM50375810 (CHEMBL346292 \| XR-9456) 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	724	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
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50375810 (CHEMBL346292 \| XR-9456) 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	513	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))	BDBM50375810 (CHEMBL346292 \| XR-9456) 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	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of Pgp 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