BDBM513874 bioRxiv20220126.477782, S-217622::bioRxiv20220126.477782, Screening Hit 2

SMILES: Cn1cnc(Cn2c(=O)[nH]\c(=N/c3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1

InChI Key: InChIKey=QMPBBNUOBOFBFS-UHFFFAOYSA-N

Data: 13 IC50  6 EC50

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 19 hits for monomerid = 513874   

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 (2019-nCoV)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	13	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)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prothrombin (Human)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Procathepsin L (Human)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin G (Human)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Human)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin B (Human)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chymotrypsinogen B2 (Human)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-2 (Human)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	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)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	13	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)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	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)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.0130	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 (HCoV-OC43)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	74	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (MERS-CoV)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (SARS-CoV)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transmembrane protease serine 2 (Human)	BDBM513874 (bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair