BDBM32665 2-furancarboxylic acid [5-amino-1-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester::CHEMBL387812::Furan-2-carboxylic acid 5-amino-1-(toluene-4-sulfonyl)-1H-pyrazol-3-yl ester::MLS000033865::SMR000014913::[5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate::[5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] furan-2-carboxylate::cid_651936::furan-2-carboxylic acid (5-amino-1-tosyl-pyrazol-3-yl) ester
SMILES: Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N
InChI Key: InChIKey=RBMBACCNCLXNAF-UHFFFAOYSA-N
Data: 13 IC50
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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Cathepsin B (Homo sapiens (Human)) | BDBM32665 (2-furancarboxylic acid [5-amino-1-(4-methylphenyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.75E+3 | n/a | n/a | n/a | n/a | 6.8 | 23 |
PCMD Curated by PubChem BioAssay | Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q25T3HTJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Factor XIIa (Homo sapiens (Human)) | BDBM32665 (2-furancarboxylic acid [5-amino-1-(4-methylphenyl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.61E+4 | n/a | n/a | n/a | n/a | 7.4 | 23 |
PCMD Curated by PubChem BioAssay | Assay Description HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PV6HQB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM32665 (2-furancarboxylic acid [5-amino-1-(4-methylphenyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.99E+3 | n/a | n/a | n/a | n/a | 7.4 | 23 |
PCMD Curated by PubChem BioAssay | Assay Description Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2N29V8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM32665 (2-furancarboxylic acid [5-amino-1-(4-methylphenyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 450 | n/a | n/a | n/a | n/a | 7.4 | 23 |
PCMD Curated by PubChem BioAssay | Assay Description Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2H993J6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM32665 (2-furancarboxylic acid [5-amino-1-(4-methylphenyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q28P5XWQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM32665 (2-furancarboxylic acid [5-amino-1-(4-methylphenyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2C53J7N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM32665 (2-furancarboxylic acid [5-amino-1-(4-methylphenyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Inhibition of human liver cathepsin B | Bioorg Med Chem Lett 17: 4761-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.091 BindingDB Entry DOI: 10.7270/Q2FT8KQD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (West Nile virus) | BDBM32665 (2-furancarboxylic acid [5-amino-1-(4-methylphenyl)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2222S6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM32665 (2-furancarboxylic acid [5-amino-1-(4-methylphenyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2W957K6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Factor XIIa (Homo sapiens (Human)) | BDBM32665 (2-furancarboxylic acid [5-amino-1-(4-methylphenyl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21G0JQS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM32665 (2-furancarboxylic acid [5-amino-1-(4-methylphenyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2WH2NDV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kallikrein 5 (Homo sapiens (Human)) | BDBM32665 (2-furancarboxylic acid [5-amino-1-(4-methylphenyl)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 473 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GH9GC8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Factor XIIa (Homo sapiens (Human)) | BDBM32665 (2-furancarboxylic acid [5-amino-1-(4-methylphenyl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2BC3WZZ | |||||||||||
More data for this Ligand-Target Pair |