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BDBM53105 CHEMBL1315054::MLS001164598::N-[(Z)-1-[3-(dimethylamino)propylcarbamoyl]-2-[5-(2-nitrophenyl)-2-furyl]vinyl]-4-methyl-benzamide::N-[(Z)-3-[3-(dimethylamino)propylamino]-1-[5-(2-nitrophenyl)-2-furanyl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide::N-[(Z)-3-[3-(dimethylamino)propylamino]-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-benzamide::N-[(Z)-3-[3-(dimethylamino)propylamino]-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide::N-{1-({[3-(dimethylamino)propyl]amino}carbonyl)-2-[5-(2-nitrophenyl)-2-furyl]vinyl}-4-methylbenzamide::SMR000539729::cid_2131982::jm5b01461, Compound 187
SMILES: CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1ccccc1[N+]([O-])=O
InChI Key: InChIKey=AAVOXWIZJYSGEP-XLNRJJMWSA-N
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM53105 (CHEMBL1315054 | MLS001164598 | N-[(Z)-1-[3-(dimeth...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet  | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chonnam National University Curated by ChEMBL | Assay Description Inhibition of SARS coronavirus recombinant 3C-like protease expressed in Escherichia coli BL21(DE3) by Lineweaver-Burk plot analysis | Bioorg Med Chem Lett 21: 3088-91 (2011) Article DOI: 10.1016/j.bmcl.2011.03.034 BindingDB Entry DOI: 10.7270/Q2CC1112 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM53105 (CHEMBL1315054 | MLS001164598 | N-[(Z)-1-[3-(dimeth...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn | Assay Description This is a review article. | J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Apoptotic peptidase activating factor 1 (Homo sapiens (Human)) | BDBM53105 (CHEMBL1315054 | MLS001164598 | N-[(Z)-1-[3-(dimeth...) | 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 | 7.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JS9NZB | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM53105 (CHEMBL1315054 | MLS001164598 | N-[(Z)-1-[3-(dimeth...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chonnam National University Curated by ChEMBL | Assay Description Inhibition of SARS coronavirus recombinant 3C-like protease expressed in Escherichia coli BL21(DE3) after 30 mins by FRET based assay | Bioorg Med Chem Lett 21: 3088-91 (2011) Article DOI: 10.1016/j.bmcl.2011.03.034 BindingDB Entry DOI: 10.7270/Q2CC1112 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| RecName: Full=Zinc finger protein mex-5 (Caenorhabditis elegans) | BDBM53105 (CHEMBL1315054 | MLS001164598 | N-[(Z)-1-[3-(dimeth...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.86E+4 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2D798VP | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| POsterior Segregation family member (pos-1) (Caenorhabditis elegans) | BDBM53105 (CHEMBL1315054 | MLS001164598 | N-[(Z)-1-[3-(dimeth...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q28G8J4C | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Apoptotic peptidase activating factor 1 (Homo sapiens (Human)) | BDBM53105 (CHEMBL1315054 | MLS001164598 | N-[(Z)-1-[3-(dimeth...) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2F18X8S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
