BDBM479496 ML300-based SC inhibitor 35
SMILES: Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2ccc[nH]c2=O)c1
InChI Key: InChIKey=OMFBUEFMMHUWOX-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM479496 (ML300-based SC inhibitor 35) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 657 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleveland Clinic | Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ... | J Med Chem 64: (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM479496 (ML300-based SC inhibitor 35) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | n/a | n/a | 1.67E+4 | n/a | n/a | n/a | n/a |
Cleveland Clinic | Assay Description Confluent monolayers of Vero E6 ACE2 cells in 12-well plates were washed once with DMEM and infected with approximately 50 plaque forming units (PFUs... | J Med Chem 64: (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM479496 (ML300-based SC inhibitor 35) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | n/a | n/a | 8.77E+3 | n/a | n/a | n/a | n/a |
Cleveland Clinic | Assay Description Briefly, Vero E6 ACE2 cells were cultured in 96-well flat-bottom plates at a density of 2 × 104 cells per well. Following infection of the cells with... | J Med Chem 64: (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM479496 (ML300-based SC inhibitor 35) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 746 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleveland Clinic | Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ... | J Med Chem 64: (2021) | |||||||||||
More data for this Ligand-Target Pair |