BDBM429360 cmdc.202100576, 4a::jm5b01461, Compound 177
SMILES: OB(O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)B(O)O)cc1
InChI Key: InChIKey=JBHJLTFEEOIBFO-UHFFFAOYSA-N
Data: 2 KI
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 (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429360 (acs.jmedchem.1c00409_ST.31 | cmdc.202100576, 4a | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 40 | 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 | |||||||||||||
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429360 (acs.jmedchem.1c00409_ST.31 | cmdc.202100576, 4a | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429360 (acs.jmedchem.1c00409_ST.31 | cmdc.202100576, 4a | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Drug Development Centre | Assay Description Please point to the patents. | ChemMedChem (2021) | |||||||||||
More data for this Ligand-Target Pair |