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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 67690   

TargetMultidrug resistance-associated protein 1(Human)
Wake Forest University School of Medicine

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
Affinity DataIC50: 1.90nMAssay Description:TP_TRANSPORTER: cell accumulation in MCF7/MRP1-10 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTAR DNA-binding protein 43(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of TDP-43 (unknown origin) binding to RNAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMed
TargetMultidrug resistance-associated protein 1(Human)
Wake Forest University School of Medicine

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMed
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Human)
Russian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMed
TargetNEDD8-activating enzyme E1 catalytic subunit(Human)
University of Macau

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMed
TargetMultidrug and toxin extrusion protein 1(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMed
TargetMultidrug and toxin extrusion protein 1(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMed
TargetSolute carrier family 22 member 2(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMed
TargetSolute carrier family 22 member 1(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMed
TargetSolute carrier family 22 member 3(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMed
TargetMultidrug and toxin extrusion protein 2(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMed
TargetMultidrug and toxin extrusion protein 1(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMed
TargetMultidrug and toxin extrusion protein 2(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMed
TargetDNA topoisomerase 2-alpha(Human)
University of Manitoba

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
Affinity DataIC50: 5.30E+3nMAssay Description:Inhibition of human topoisomerase 2alpha decantation activityMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtein LANA1(HHV-8)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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
TargetGroup 3 secretory phospholipase A2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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(Human)
Southern Research Institute

Curated by PubChem BioAssay
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
Affinity DataEC50: >5.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetSolute carrier organic anion transporter family member 1B3(Human)
Universit£Tsmedizin G£Ttingen

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMed
TargetDNA-3-methyladenine glycosylase(Human)
Georgetown University

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMed
TargetSerine/threonine-protein kinase 33(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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
TargetIntegrase(Human immunodeficiency virus type 1)
University of California

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of California

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMed
TargetCytochrome P450 2D6(Human)
University of Leicester

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
Affinity DataIC50: 7.63E+4nMAssay Description:Inhibitory concentration against cytochrome P450 2D6More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSerine/threonine-protein kinase pim-1(Human)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMultidrug resistance-associated protein 1(Human)
Wake Forest University School of Medicine

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
Affinity DataIC50: 1.5nMAssay Description:TP_TRANSPORTER: cell accumulation in MCF7/MRP1-M24 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMultidrug resistance-associated protein 1(Human)
Wake Forest University School of Medicine

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
Affinity DataIC50: 1.5nMAssay Description:TP_TRANSPORTER: cell accumulation in MCF7/MRP1-M6 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier organic anion transporter family member 1B3(Human)
Universit£Tsmedizin G£Ttingen

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
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 Article
PubMed
TargetP2Y purinoceptor 12(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM67690(SMR000058480 | DHAD | 1,4-bis[2-(2-hydroxyethylami...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]PSB0413 from human platelet P2Y12 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed