BDBM11265 N-(4-chlorophenyl)-2-[(4-{5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl}pyrimidin-2-yl)sulfanyl]acetamide::jm5b01461, Compound 106::pyrimidine-containing compound 2
SMILES: Cn1nc(cc1C(F)(F)F)-c1ccc(s1)-c1ccnc(SCC(=O)Nc2ccc(Cl)cc2)n1
InChI Key: InChIKey=AWQBIBTZJKFLEW-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM11265 (N-(4-chlorophenyl)-2-[(4-{5-[1-methyl-5-(trifluoro...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Tsing Hua University | Assay Description The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t... | J Med Chem 49: 3485-95 (2006) Article DOI: 10.1021/jm050852f BindingDB Entry DOI: 10.7270/Q2R20ZKB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM11265 (N-(4-chlorophenyl)-2-[(4-{5-[1-methyl-5-(trifluoro...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM11265 (N-(4-chlorophenyl)-2-[(4-{5-[1-methyl-5-(trifluoro...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.00E+4 | 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 |