BDBM496900 science.abl4784, 4
SMILES: CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2[C@H]([C@@H]1C(=O)N[C@H](C[C@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C
InChI Key: InChIKey=ULSNGHDTLFJHAM-ULVDTXHQSA-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) | BDBM496900 (science.abl4784, 4) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | 7.93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
Pfizer | Assay Description The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea... | Science 374: 1-13 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin-converting enzyme 2 (Homo sapiens (Human)) | BDBM496900 (science.abl4784, 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | n/a | n/a | 909 | n/a | n/a | n/a | n/a | |
Pfizer | Assay Description VeroE6 cells were sorted for ACE2 expression by flow cytometry to generate clonal VeroE6 cells that are enriched for ACE2 surface expression. The ACE... | Science 374: 1-13 (2021) | |||||||||||
More data for this Ligand-Target Pair |