BDBM479476 ML300-based SC inhibitor 15
SMILES: O=C(Cn1nnc2ccccc12)N(Cc1ccsc1)c1ccc(cc1)-c1ccncc1
InChI Key: InChIKey=ZFYLJRHNLKAHPV-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...) | BDBM479476 (ML300-based SC inhibitor 15 | acs.jmedchem.1c00409...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 1.57E+3 | 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 | |||||||||||||
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM479476 (ML300-based SC inhibitor 15 | acs.jmedchem.1c00409...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 2.00E+3 | 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 (2019-nCoV) | BDBM479476 (ML300-based SC inhibitor 15 | acs.jmedchem.1c00409...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 2.09E+3 | 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 |