null

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

InChI Key InChIKey=OSFCMRGOZNQUSW-UHFFFAOYSA-N

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50206310   

TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataKi:  40nMAssay Description:TP_TRANSPORTER: transepithelial transport of digoxin (basal to apical) in Caco-2 cellsMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataKi:  440nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) in MDR1-expressing MDCK cellsMore data for this Ligand-Target Pair
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataIC50: 400nMAssay Description:Inhibition of BCRP expressed in MDCK cells by pheophorbide A assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G73DT7PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataIC50: 193nMAssay Description:Inhibition of ABCB1 expressed in Kb-V1 cells after 10 mins by calcein-AM assayMore data for this Ligand-Target Pair
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataIC50: 127nMAssay Description:Inhibition of ABCG2 expressed in human MCF7/Topo cells by Hoechst microplate assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6C5TPubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataIC50: 410nMAssay Description:Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometryMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N58N6TPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataEC50:  2.00E+3nMAssay Description:Inhibition of human P-glycoprotein mediated [3H]vinblastine transport in human Caco-2 cellsMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataIC50: 193nMAssay Description:Inhibition of ABCB1 in human KBV1 cells after 10 mins by Calcein-AM microplate assayMore data for this Ligand-Target Pair
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataIC50: 127nMAssay Description:Inhibition of ABCG2 in human MCF7/Topo cells after 2 hrs by Hoechst 33342 microplate assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JRQPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataEC50:  2.00E+3nMAssay Description:Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cellsMore data for this Ligand-Target Pair
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataIC50: 250nMAssay Description:Inhibition of ABCG2 overexpressed in human MCF7/Topo cells by flow cytometric-based mitoxantrone efflux assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VH5PQ4PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataIC50: 193nMAssay Description:Inhibition of ABCB1 overexpressed in human KBv1 cells by flow cytometric-based calcein-AM efflux assayMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataEC50:  2.00E+3nMAssay Description:Inhibition of Pgp measured as inhibition of [3H]vinblastine basolateral to apical transport in Caco-2 cellsMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataIC50: 72nMAssay Description:Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysisMore data for this Ligand-Target Pair
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataIC50: 252nMAssay Description:Inhibition of sulfasalazine-stimulated BCRP ATP ase activity (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KP85ZFPubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))TBA
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataIC50: 4.13E+3nMAssay Description:Inhibition of NEM-GS-stimulated MRP1 ATPase activity (unknown origin) in presence of GSHMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KP85ZFPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataIC50: 4.90nMAssay Description:Inhibition of paclitaxel stimulated- P-gp ATPase activity (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataIC50: 430nMAssay Description:Inhibition of BCRP expressed in MDCK cells by pheophorbide A assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G73DT7PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of ABCB1-mediated [3H]vinblastine transportation in human Caco2 cellsMore data for this Ligand-Target Pair