BDBM67690 1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis(oxidanyl)anthracene-9,10-dione;hydrochloride::1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]-9,10-anthraquinone;hydrochloride::1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;hydrochloride::DHAD::MITOXANTRONE::MITOXANTRONE DIHYDROCHLORIDE::MLS001333711::SMR000058480::cid_4212::cid_5458171

SMILES OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12

InChI Key InChIKey=KKZJGLLVHKMTCM-UHFFFAOYSA-N

Data  2 KI  27 IC50  4 EC50

PDB links: 8 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 67690   

TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Universit£Tsmedizin G£Ttingen

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataKi:  3.10E+3nMAssay Description:Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 12(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]PSB0413 from human platelet P2Y12 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGroup 3 secretory phospholipase A2(Homo sapiens)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  1.22E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGroup 3 secretory phospholipase A2(Homo sapiens)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  1.22E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Southern Research Institute

Curated by PubChem BioAssay
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataEC50: >5.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Universit£Tsmedizin G£Ttingen

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  3.39E+3nMAssay Description:Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA-3-methyladenine glycosylase(Homo sapiens (Human))
Georgetown University

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  2.50E+3nMAssay Description:Inhibition of human purified MPG pre-incubated with compound for 10 mins followed by addition of 1,N6 ethenoadenine containing 32P-labeled duplex oli...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-alpha(Homo sapiens (Human))
University Of Manitoba

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  5.30E+3nMAssay Description:Inhibition of human topoisomerase 2alpha decantation activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
University Of California

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  3.80E+3nMAssay Description:Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
University Of California

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  8.00E+3nMAssay Description:Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transferMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
University Of Leicester

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  7.63E+4nMAssay Description:Inhibitory concentration against cytochrome P450 2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase pim-1(Homo sapiens (Human))
Graduate School Of Peking Union Medical College And Chinese Academy Of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  51nMAssay Description:Inhibition of recombinant PIM1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 1 hr by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Graduate School Of Peking Union Medical College And Chinese Academy Of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
Wake Forest University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  1.5nMAssay Description:TP_TRANSPORTER: cell accumulation in MCF7/MRP1-M24 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
Wake Forest University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  1.5nMAssay Description:TP_TRANSPORTER: cell accumulation in MCF7/MRP1-M6 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
Wake Forest University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  1.90nMAssay Description:TP_TRANSPORTER: cell accumulation in MCF7/MRP1-10 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug and toxin extrusion protein 2(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  830nMAssay 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
TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  530nMAssay 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
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  530nMAssay 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
TargetSolute carrier family 22 member 3(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  6.05E+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 ArticlePubMed
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  4.39E+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
TargetSolute carrier family 22 member 2(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  7.33E+4nMAssay 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
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  190nMAssay 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
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  400nMAssay 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
TargetNEDD8-activating enzyme E1 catalytic subunit(Homo sapiens)
University Of Macau

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataEC50:  1.30E+3nMAssay Description:Inhibition of NAE-mediated Ubcl2-NEDD8 conjugation in human Caco2 cells after 16 hrs by Western blot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Homo sapiens (Human))
Russian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  2.25E+4nMAssay Description:Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunitsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  904nMAssay Description:Inhibition of BCRP in human HEK293/R2 cells assessed as reduction in cell viability after 5 days by MTS/PMS assayMore data for this Ligand-Target Pair
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
Wake Forest University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  28nMAssay Description:Inhibition of MRP1 in human 2008/MRP1 cells assessed as reduction in cell viability after 5 days by MTS/PMS assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of MDR in human LCC6MDR cells assessed as reduction in cell viability after 5 days by MTS/PMS assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTAR DNA-binding protein 43(Homo sapiens)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of TDP-43 (unknown origin) binding to RNAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase 33(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataEC50:  5.88E+3nMAssay Description:Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProtein LANA1(Human herpesvirus 8)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM67690(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Affinity DataEC50:  4.69E+3nMAssay Description:Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay