null
SMILES: OC(=O)c1cc(ccc1O)\N=N\c1ccc(cc1)S(=O)(=O)Nc1ccccn1
InChI Key: InChIKey=NCEXYHBECQHGNR-QZQOTICOSA-N
PDB links: 6 PDB IDs match this monomer.
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...) | BDBM50103596 ((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago Curated by ChEMBL | Assay Description Binding affinity to MERS-CoV papain-like protease by SPR analysis | Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tumor necrosis factor (Homo sapiens (Human)) | BDBM50103596 ((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | 7.0 | n/a |
Institute of Hematology and Blood Diseases Hospital, Chinese Academy of Medical Sciences and Peking Union Medical College | Assay Description Surface plasmon resonance (SPR) assays were carried out on a BIAcore 3000 instrument (Biacore, Inc). Briefly, purified hTNFα was dissolved at 32... | J Biol Chem 289: 12457-66 (2014) Article DOI: 10.1074/jbc.M113.521708 BindingDB Entry DOI: 10.7270/Q2J9658M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50103596 ((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t... | Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human)) | BDBM50103596 ((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50103596 ((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human)) | BDBM50103596 ((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cystine/glutamate transporter (Homo sapiens (Human)) | BDBM50103596 ((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 4.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of cystine/glutamate antiporter system xc- in human Calu1 cells assessed as reduction in L-[3,3'-14C]-cystine uptake in presence of Na+ fr... | Eur J Med Chem 163: 215-242 (2019) Article DOI: 10.1016/j.ejmech.2018.11.066 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cystine/glutamate transporter (Homo sapiens (Human)) | BDBM50103596 ((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 4.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of cystine/glutamate antiporter system xc- in human HT1080 cells assessed as reduction in L-[3,3'-14C]-cystine uptake in presence of Na+ f... | Eur J Med Chem 163: 215-242 (2019) Article DOI: 10.1016/j.ejmech.2018.11.066 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cystine/glutamate transporter (Homo sapiens (Human)) | BDBM50103596 ((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of xCT-mediated cystein/glutamate transporter (unknown origin) assessed as reduction in L-[14C]cyctein uptake | Eur J Med Chem 163: 215-242 (2019) Article DOI: 10.1016/j.ejmech.2018.11.066 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium/bile acid cotransporter (Homo sapiens (Human)) | BDBM50103596 ((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southwest Jiaotong University Curated by ChEMBL | Assay Description Inhibition of HA-tagged human NTCP expressed in human U2OS cells assessed as reduction in [14C]taurocholate uptake preincubated for 10 mins followed ... | Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126623 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human)) | BDBM50103596 ((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PubMed | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Curated by ChEMBL | Assay Description Inhibition of AICAR transformylase (unknown origin) | J Med Chem 63: 8314-8324 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2J2 (Homo sapiens (Human)) | BDBM50103596 ((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tongji University Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method | Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50103596 ((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | n/a | n/a | n/a | n/a | 916 | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair |