BDBM484195 UAWJ9-36-3
SMILES: CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)OCc1ccccc1
InChI Key: InChIKey=YVCYGQVRUNWVOI-VMXHOPILSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Replicase polyprotein 1ab (2019-nCoV) | BDBM484195 (UAWJ9-36-3) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin & trypsin (Homo sapiens (Human)) | BDBM484195 (UAWJ9-36-3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3C-like proteinase (MERS-CoV) | BDBM484195 (UAWJ9-36-3) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-OC43) | BDBM484195 (UAWJ9-36-3) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-229E) | BDBM484195 (UAWJ9-36-3) | PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM484195 (UAWJ9-36-3) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-HKU1) | BDBM484195 (UAWJ9-36-3) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM484195 (UAWJ9-36-3) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | n/a | 370 | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description The analyses of antiviral activities of UAWJ9-36-1 (A, C) and UAWJ9-36-3 (B, D) against SARS-CoV-2 in immunofluorescence assay was carried out in Ver... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM484195 (UAWJ9-36-3) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description The analyses of antiviral activities of UAWJ9-36-1 (A, C) and UAWJ9-36-3 (B, D) against SARS-CoV-2 in immunofluorescence assay was carried out in Cac... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-OC43) | BDBM484195 (UAWJ9-36-3) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | n/a | 59 | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-229E) | BDBM484195 (UAWJ9-36-3) | PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM484195 (UAWJ9-36-3) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description The analyses of antiviral activities of UAWJ9-36-1 (A, C) and UAWJ9-36-3 (B, D) against SARS-CoV-2 in immunofluorescence assay was carried out in Ver... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM484195 (UAWJ9-36-3) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description The analyses of antiviral activities of UAWJ9-36-1 (A, C) and UAWJ9-36-3 (B, D) against SARS-CoV-2 in immunofluorescence assay was carried out in Ver... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM484195 (UAWJ9-36-3) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | n/a | 540 | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description CPE assay was carried out in Huh-7 cells in the presence or absence of P-glycoprotein inhibitor CP-100356. | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM484195 (UAWJ9-36-3) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain1 (Homo sapiens (Human)) | BDBM484195 (UAWJ9-36-3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM484195 (UAWJ9-36-3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM484195 (UAWJ9-36-3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM484195 (UAWJ9-36-3) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM484195 (UAWJ9-36-3) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) | |||||||||||
More data for this Ligand-Target Pair |