BDBM429242 acs.jmedchem.1c00409_ST.4::jm5b01461, Compound 59

SMILES: CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c2nc3ccccc3s2)NC(=O)c4cc5c([nH]4)cccc5OC

InChI Key: InChIKey=JBLLRCOZJMVOAE-UHFFFAOYSA-N

Data: 8 KI  1 IC50

PDB links: 9 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 429242   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Replicase polyprotein 1ab (SARS-CoV)	BDBM429242 (jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	740	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 (SARS-CoV)	BDBM429242 (jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4) Show SMILES Show InChI	GoogleScholar	UniChem		6	n/a	n/a	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 (SARS-CoV)	BDBM429242 (jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4) Show SMILES Show InChI	GoogleScholar	UniChem		6	n/a	n/a	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)	BDBM429242 (jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4) Show SMILES Show InChI	GoogleScholar	UniChem		6	n/a	n/a	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 (SARS-CoV)	BDBM429242 (jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4) Show SMILES Show InChI	GoogleScholar	UniChem		6.30	n/a	n/a	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 (SARS-CoV)	BDBM429242 (jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4) Show SMILES Show InChI	GoogleScholar	UniChem		6.30	n/a	n/a	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)	BDBM429242 (jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4) Show SMILES Show InChI	GoogleScholar	UniChem		6.30	n/a	n/a	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)	BDBM429242 (jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4) Show SMILES Show InChI	GoogleScholar	UniChem		34	n/a	n/a	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 (SARS-CoV)	BDBM429242 (jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4) Show SMILES Show InChI	GoogleScholar	UniChem		34	n/a	n/a	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)	BDBM429242 (jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4) Show SMILES Show InChI	GoogleScholar	UniChem		1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair