BindingDB PrimarySearch

BDBM50206310 5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic acid {4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-phenyl}-amide::CHEMBL396298::ELACRIDAR HYDROCHLORIDE::Elacridar::N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)-5-methoxy-9-oxo-9,10-dihydroacridine-2-carboxamide::N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)-5-methoxy-9-oxo-9,10-dihydroacridine-4-carboxamide::N-4-[2-(1,2,3,4-Tetrahydro-6,7-dimethoxy-2-isoquinolinyl)ethyl]phenyl}-9,10-dihydro-5-methoxy-9-oxo-4-acridone carboxamide

SMILES: COc1cc2CCN(CCc3ccc(NC(=O)c4cccc5c4[nH]c4c(OC)cccc4c5=O)cc3)Cc2cc1OC

InChI Key: InChIKey=OSFCMRGOZNQUSW-UHFFFAOYSA-N

Data: 2 KI 11 IC50 3 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50206310
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
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description TP_TRANSPORTER: transepithelial transport of digoxin (basal to apical) in Caco-2 cells				Pharm Res 20: 161-8 (2003) Article DOI: 10.1023/a:1022359300826 BindingDB Entry DOI: 10.7270/Q2BP05N6
The University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) in MDR1-expressing MDCK cells				Pharm Res 19: 765-72 (2002) BindingDB Entry DOI: 10.7270/Q2BZ67B1
The University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	193	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de Colombia Curated by ChEMBL					Assay Description Inhibition of ABCB1 expressed in Kb-V1 cells after 10 mins by calcein-AM assay				Bioorg Med Chem Lett 21: 3654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.094 BindingDB Entry DOI: 10.7270/Q22J6C5T
Universidad Nacional de Colombia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de Colombia Curated by ChEMBL					Assay Description Inhibition of ABCG2 expressed in human MCF7/Topo cells by Hoechst microplate assay				Bioorg Med Chem Lett 21: 3654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.094 BindingDB Entry DOI: 10.7270/Q22J6C5T
Universidad Nacional de Colombia Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I Curated by ChEMBL					Assay Description Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry				Bioorg Med Chem 15: 2892-7 (2007) Article DOI: 10.1016/j.bmc.2007.02.017 BindingDB Entry DOI: 10.7270/Q2N58N6T
					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Inhibition of human P-glycoprotein mediated [3H]vinblastine transport in human Caco-2 cells				J Med Chem 51: 1415-22 (2008) Article DOI: 10.1021/jm701267q BindingDB Entry DOI: 10.7270/Q2QN67NC
Universita degli Studi di Bari Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	193	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human KBV1 cells after 10 mins by Calcein-AM microplate assay				ACS Med Chem Lett 4: 393-6 (2013) Article DOI: 10.1021/ml4000832 BindingDB Entry DOI: 10.7270/Q2T72JRQ
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of ABCG2 in human MCF7/Topo cells after 2 hrs by Hoechst 33342 microplate assay				ACS Med Chem Lett 4: 393-6 (2013) Article DOI: 10.1021/ml4000832 BindingDB Entry DOI: 10.7270/Q2T72JRQ
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells				Bioorg Med Chem 16: 362-73 (2008) Article DOI: 10.1016/j.bmc.2007.09.039 BindingDB Entry DOI: 10.7270/Q2ST7QQS
Universit£ degli Studi di Bari Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of ABCG2 overexpressed in human MCF7/Topo cells by flow cytometric-based mitoxantrone efflux assay				J Med Chem 52: 1190-7 (2009) Article DOI: 10.1021/jm8013822 BindingDB Entry DOI: 10.7270/Q2VH5PQ4
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	193	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of ABCB1 overexpressed in human KBv1 cells by flow cytometric-based calcein-AM efflux assay				J Med Chem 52: 1190-7 (2009) Article DOI: 10.1021/jm8013822 BindingDB Entry DOI: 10.7270/Q2VH5PQ4
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Inhibition of Pgp measured as inhibition of [3H]vinblastine basolateral to apical transport in Caco-2 cells				J Med Chem 49: 6607-13 (2006) Article DOI: 10.1021/jm060639z BindingDB Entry DOI: 10.7270/Q2HQ3ZJD
Università degli Studi di Bari Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
University of Vienna Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	400	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))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	430	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
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Inhibition of ABCB1-mediated [3H]vinblastine transportation in human Caco2 cells				J Med Chem 51: 7602-13 (2008) Article DOI: 10.1021/jm800928j BindingDB Entry DOI: 10.7270/Q27W6C2G
Universita degli Studi di Bari Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)