null

SMILES: CC(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(=O)C2CC2)cc1)c1ccsc1

InChI Key: InChIKey=DHKBFPSKHJNVEF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 420973   

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 (HCoV-NL63)	BDBM420973 (US9975885, Compound 29) Show SMILES CC(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(=O)C2CC2)cc1)c1ccsc1 Show InChI InChI=1S/C27H28N6O3S/c1-17(2)28-27(36)25(19-13-14-37-16-19)33(21-11-9-20(10-12-21)29-26(35)18-7-8-18)24(34)15-32-23-6-4-3-5-22(23)30-31-32/h3-6,9-14,16-18,25H,7-8,15H2,1-2H3,(H,28,36)(H,29,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
PURDUE RESEARCH FOUNDATION US Patent					Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following...				US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-OC43)	BDBM420973 (US9975885, Compound 29) Show SMILES CC(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(=O)C2CC2)cc1)c1ccsc1 Show InChI InChI=1S/C27H28N6O3S/c1-17(2)28-27(36)25(19-13-14-37-16-19)33(21-11-9-20(10-12-21)29-26(35)18-7-8-18)24(34)15-32-23-6-4-3-5-22(23)30-31-32/h3-6,9-14,16-18,25H,7-8,15H2,1-2H3,(H,28,36)(H,29,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
PURDUE RESEARCH FOUNDATION US Patent					Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following...				US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (BtCoV)	BDBM420973 (US9975885, Compound 29) Show SMILES CC(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(=O)C2CC2)cc1)c1ccsc1 Show InChI InChI=1S/C27H28N6O3S/c1-17(2)28-27(36)25(19-13-14-37-16-19)33(21-11-9-20(10-12-21)29-26(35)18-7-8-18)24(34)15-32-23-6-4-3-5-22(23)30-31-32/h3-6,9-14,16-18,25H,7-8,15H2,1-2H3,(H,28,36)(H,29,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
PURDUE RESEARCH FOUNDATION US Patent					Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following...				US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (BtCoV)	BDBM420973 (US9975885, Compound 29) Show SMILES CC(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(=O)C2CC2)cc1)c1ccsc1 Show InChI InChI=1S/C27H28N6O3S/c1-17(2)28-27(36)25(19-13-14-37-16-19)33(21-11-9-20(10-12-21)29-26(35)18-7-8-18)24(34)15-32-23-6-4-3-5-22(23)30-31-32/h3-6,9-14,16-18,25H,7-8,15H2,1-2H3,(H,28,36)(H,29,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
PURDUE RESEARCH FOUNDATION US Patent					Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following...				US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM420973 (US9975885, Compound 29) Show SMILES CC(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(=O)C2CC2)cc1)c1ccsc1 Show InChI InChI=1S/C27H28N6O3S/c1-17(2)28-27(36)25(19-13-14-37-16-19)33(21-11-9-20(10-12-21)29-26(35)18-7-8-18)24(34)15-32-23-6-4-3-5-22(23)30-31-32/h3-6,9-14,16-18,25H,7-8,15H2,1-2H3,(H,28,36)(H,29,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
PURDUE RESEARCH FOUNDATION US Patent					Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following...				US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX
					More data for this Ligand-Target Pair