Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Multidrug resistance-associated protein 1 (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wake Forest University School of Medicine Curated by ChEMBL | Assay Description TP_TRANSPORTER: cell accumulation in MCF7/MRP1-M24 cells | Mol Pharmacol 69: 1499-505 (2006) Article DOI: 10.1124/mol.105.017988 BindingDB Entry DOI: 10.7270/Q2GT5PDS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 1 (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wake Forest University School of Medicine Curated by ChEMBL | Assay Description TP_TRANSPORTER: cell accumulation in MCF7/MRP1-M6 cells | Mol Pharmacol 69: 1499-505 (2006) Article DOI: 10.1124/mol.105.017988 BindingDB Entry DOI: 10.7270/Q2GT5PDS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 1 (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wake Forest University School of Medicine Curated by ChEMBL | Assay Description TP_TRANSPORTER: cell accumulation in MCF7/MRP1-10 cells | Mol Pharmacol 69: 1499-505 (2006) Article DOI: 10.1124/mol.105.017988 BindingDB Entry DOI: 10.7270/Q2GT5PDS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 1 (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University Curated by ChEMBL | Assay Description Inhibition of MRP1 in human 2008/MRP1 cells assessed as reduction in cell viability after 5 days by MTS/PMS assay | J Med Chem 62: 8578-8608 (2019) Article DOI: 10.1021/acs.jmedchem.9b00963 BindingDB Entry DOI: 10.7270/Q28S4T5Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL | Assay Description Inhibition of recombinant PIM1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 1 hr by HTRF assay | J Med Chem 56: 2619-29 (2013) Article DOI: 10.1021/jm400045y BindingDB Entry DOI: 10.7270/Q2125TZ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug and toxin extrusion protein 1 (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysis | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug and toxin extrusion protein 1 (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysis | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug and toxin extrusion protein 2 (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug and toxin extrusion protein 1 (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug and toxin extrusion protein 2 (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | 904 | n/a | n/a | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University Curated by ChEMBL | Assay Description Inhibition of BCRP in human HEK293/R2 cells assessed as reduction in cell viability after 5 days by MTS/PMS assay | J Med Chem 62: 8578-8608 (2019) Article DOI: 10.1021/acs.jmedchem.9b00963 BindingDB Entry DOI: 10.7270/Q28S4T5Q | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tyrosine-protein kinase BTK (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL | Assay Description Inhibition of BTK (unknown origin) | J Med Chem 56: 2619-29 (2013) Article DOI: 10.1021/jm400045y BindingDB Entry DOI: 10.7270/Q2125TZ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University Curated by ChEMBL | Assay Description Inhibition of MDR in human LCC6MDR cells assessed as reduction in cell viability after 5 days by MTS/PMS assay | J Med Chem 62: 8578-8608 (2019) Article DOI: 10.1021/acs.jmedchem.9b00963 BindingDB Entry DOI: 10.7270/Q28S4T5Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA-(apurinic or apyrimidinic site) endonuclease (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Russian Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assay | Bioorg Med Chem 25: 2531-2544 (2017) Article DOI: 10.1016/j.bmc.2017.01.028 BindingDB Entry DOI: 10.7270/Q2P55R4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA-3-methyladenine glycosylase (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Curated by ChEMBL | Assay 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... | Bioorg Med Chem 23: 1102-11 (2015) Article DOI: 10.1016/j.bmc.2014.12.067 BindingDB Entry DOI: 10.7270/Q2M32XHW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 1B3 (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 3.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen Curated by ChEMBL | Assay Description Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method | Eur J Med Chem 92: 723-31 (2015) Article DOI: 10.1016/j.ejmech.2015.01.011 BindingDB Entry DOI: 10.7270/Q2PV6N3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing | J Med Chem 43: 2100-14 (2000) BindingDB Entry DOI: 10.7270/Q27D2VTS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA topoisomerase 2-alpha (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manitoba Curated by ChEMBL | Assay Description Inhibition of human topoisomerase 2alpha decantation activity | Bioorg Med Chem 16: 3959-68 (2008) Article DOI: 10.1016/j.bmc.2008.01.033 BindingDB Entry DOI: 10.7270/Q2T72H7K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transfer | J Med Chem 43: 2100-14 (2000) BindingDB Entry DOI: 10.7270/Q27D2VTS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TAR DNA-binding protein 43 (Homo sapiens) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of TDP-43 (unknown origin) binding to RNA | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126942 BindingDB Entry DOI: 10.7270/Q2SN0DJF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ChanTest Corporation Curated by ChEMBL | Assay 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 subunits | Sci Rep 3: (2013) Article DOI: 10.1038/srep02100 BindingDB Entry DOI: 10.7270/Q2RB77K2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 1 (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 4.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 3 (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 6.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 2 (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 7.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 7.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leicester Curated by ChEMBL | Assay Description Inhibitory concentration against cytochrome P450 2D6 | J Med Chem 47: 5340-6 (2004) Article DOI: 10.1021/jm049934e BindingDB Entry DOI: 10.7270/Q2R49RJH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Group 3 secretory phospholipase A2 (Homo sapiens) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | 1.22E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2CV4GCW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Group 3 secretory phospholipase A2 (Homo sapiens) | BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) | MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | 1.22E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2CV4GCW | |||||||||||
More data for this Ligand-Target Pair |