BDBM479369 ALP-POS-c59291d4-3::CVD-0006352::ML300-based SC inhibitor 1::US20240239772, Compound ML300::acs.jmedchem.1c00409_ST.352

SMILES: c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)C5CC5

InChI Key: InChIKey=OCKMJWOFMCSMEX-UHFFFAOYSA-N

Data: 9 IC50  2 EC50

PDB links: 2 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 11 hits for monomerid = 479369   

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)	BDBM479369 (ML300-based SC inhibitor 1 | ALP-POS-c59291d4-3 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.45E+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)	BDBM479369 (ML300-based SC inhibitor 1 | ALP-POS-c59291d4-3 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.99E+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)	BDBM479369 (ML300-based SC inhibitor 1 | ALP-POS-c59291d4-3 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.99E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479369 (ML300-based SC inhibitor 1 | ALP-POS-c59291d4-3 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479369 (ML300-based SC inhibitor 1 | ALP-POS-c59291d4-3 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.84E+4	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)	BDBM479369 (ML300-based SC inhibitor 1 | ALP-POS-c59291d4-3 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine protease 1 (Human)	BDBM479369 (ML300-based SC inhibitor 1 | ALP-POS-c59291d4-3 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.90E+4	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)	BDBM479369 (ML300-based SC inhibitor 1 | ALP-POS-c59291d4-3 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.10E+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)	BDBM479369 (ML300-based SC inhibitor 1 | ALP-POS-c59291d4-3 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.99E+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 (SARS-CoV)	BDBM479369 (ML300-based SC inhibitor 1 | ALP-POS-c59291d4-3 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.45E+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)	BDBM479369 (ML300-based SC inhibitor 1 | ALP-POS-c59291d4-3 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair