BDBM50128267 (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE::CHEMBL481::Camptosar::IRINOTECAN::[1,4']Bipiperidinyl-1'-carboxylic acid 4,11-diethyl-4-hydroxy-3,13-dioxo-3,4,12,13-tetrahydro-1H-2-oxa-6,12a-diaza-dibenzo[b,h]fluoren-9-yl ester::[1,4']bipiperidinyl-1'-carboxylic acid (S)-4,11-diethyl-4-hydroxy-3,13-dioxo-3,4,12,13-tetrahydro-1H-2-oxa-6,12a-diaza-dibenzo[b,h]fluoren-9-yl ester

SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12

InChI Key InChIKey=UWKQSNNFCGGAFS-XIFFEERXSA-N

Data  3 KI  8 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50128267   

TargetAcetylcholinesterase(Tetronarce californica (Pacific electric ray) (Tor...)
Universit£

Curated by ChEMBL
LigandPNGBDBM50128267((4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-T...)
Affinity DataKi:  26nMAssay Description:Inhibition of Torpedo californica AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50128267((4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-T...)
Affinity DataKi:  51nMAssay Description:Inhibition of human AChEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50128267((4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-T...)
Affinity DataKi:  2.40E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSolute carrier family 22 member 3(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50128267((4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-T...)
Affinity DataIC50:  7.46E+4nMAssay Description:Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSolute carrier family 22 member 2(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50128267((4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-T...)
Affinity DataIC50:  2.70E+3nMAssay Description:Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50128267((4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-T...)
Affinity DataIC50:  4.30E+3nMAssay Description:Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50128267((4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-T...)
Affinity DataIC50:  2.10E+3nMAssay Description:Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug and toxin extrusion protein 2(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50128267((4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-T...)
Affinity DataIC50:  7.90E+3nMAssay Description:Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50128267((4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-T...)
Affinity DataIC50:  7.90E+3nMAssay Description:Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug and toxin extrusion protein 2(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50128267((4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-T...)
Affinity DataIC50:  7.86E+4nMAssay Description:Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50128267((4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-T...)
Affinity DataIC50:  2.08E+4nMAssay Description:Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed