BDBM11267 N-(2-chlorophenyl)-2-({4-[4-methyl-5-(4-methyl-1,3-thiazol-2-yl)-2-(methylsulfanyl)thiophen-3-yl]pyrimidin-2-yl}sulfanyl)acetamide::pyrimidine-containing compound 4
SMILES: CSc1sc(c(C)c1-c1ccnc(SCC(=O)Nc2ccccc2Cl)n1)-c1nc(C)cs1
InChI Key: InChIKey=NNVVKOVHRSDRSQ-UHFFFAOYSA-N
Data: 1 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...) | BDBM11267 (N-(2-chlorophenyl)-2-({4-[4-methyl-5-(4-methyl-1,3...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | n/a | n/a | 1.20E+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...) | BDBM11267 (N-(2-chlorophenyl)-2-({4-[4-methyl-5-(4-methyl-1,3...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20E+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 |