BDBM479493 ML300-based SC inhibitor 32

SMILES: Clc1cc(Cl)cc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cccnc2)c1

InChI Key: InChIKey=FXOXREWVQYLPFR-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 479493   

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)	BDBM479493 (ML300-based SC inhibitor 32) Show SMILES Clc1cc(Cl)cc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C26H19Cl2N5O/c27-21-12-18(13-22(28)14-21)16-32(23-9-7-19(8-10-23)20-4-3-11-29-15-20)26(34)17-33-25-6-2-1-5-24(25)30-31-33/h1-15H,16-17H2	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	176	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...)	BDBM479493 (ML300-based SC inhibitor 32) Show SMILES Clc1cc(Cl)cc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C26H19Cl2N5O/c27-21-12-18(13-22(28)14-21)16-32(23-9-7-19(8-10-23)20-4-3-11-29-15-20)26(34)17-33-25-6-2-1-5-24(25)30-31-33/h1-15H,16-17H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	111	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