null

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

InChI Key: InChIKey=WUCWUEUMJJFMDQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 420974   

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)	BDBM420974 (US9975885, Compound 30) Show SMILES CC(C)CNC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(=O)C2CC2)cc1)c1ccsc1 Show InChI InChI=1S/C28H30N6O3S/c1-18(2)15-29-28(37)26(20-13-14-38-17-20)34(22-11-9-21(10-12-22)30-27(36)19-7-8-19)25(35)16-33-24-6-4-3-5-23(24)31-32-33/h3-6,9-14,17-19,26H,7-8,15-16H2,1-2H3,(H,29,37)(H,30,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	4.20E+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-HKU1)	BDBM420974 (US9975885, Compound 30) Show SMILES CC(C)CNC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(=O)C2CC2)cc1)c1ccsc1 Show InChI InChI=1S/C28H30N6O3S/c1-18(2)15-29-28(37)26(20-13-14-38-17-20)34(22-11-9-21(10-12-22)30-27(36)19-7-8-19)25(35)16-33-24-6-4-3-5-23(24)31-32-33/h3-6,9-14,17-19,26H,7-8,15-16H2,1-2H3,(H,29,37)(H,30,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	1.35E+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)	BDBM420974 (US9975885, Compound 30) Show SMILES CC(C)CNC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(=O)C2CC2)cc1)c1ccsc1 Show InChI InChI=1S/C28H30N6O3S/c1-18(2)15-29-28(37)26(20-13-14-38-17-20)34(22-11-9-21(10-12-22)30-27(36)19-7-8-19)25(35)16-33-24-6-4-3-5-23(24)31-32-33/h3-6,9-14,17-19,26H,7-8,15-16H2,1-2H3,(H,29,37)(H,30,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	600	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...)	BDBM420974 (US9975885, Compound 30) Show SMILES CC(C)CNC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(=O)C2CC2)cc1)c1ccsc1 Show InChI InChI=1S/C28H30N6O3S/c1-18(2)15-29-28(37)26(20-13-14-38-17-20)34(22-11-9-21(10-12-22)30-27(36)19-7-8-19)25(35)16-33-24-6-4-3-5-23(24)31-32-33/h3-6,9-14,17-19,26H,7-8,15-16H2,1-2H3,(H,29,37)(H,30,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	1.05E+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)	BDBM420974 (US9975885, Compound 30) Show SMILES CC(C)CNC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(=O)C2CC2)cc1)c1ccsc1 Show InChI InChI=1S/C28H30N6O3S/c1-18(2)15-29-28(37)26(20-13-14-38-17-20)34(22-11-9-21(10-12-22)30-27(36)19-7-8-19)25(35)16-33-24-6-4-3-5-23(24)31-32-33/h3-6,9-14,17-19,26H,7-8,15-16H2,1-2H3,(H,29,37)(H,30,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	600	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)	BDBM420974 (US9975885, Compound 30) Show SMILES CC(C)CNC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(=O)C2CC2)cc1)c1ccsc1 Show InChI InChI=1S/C28H30N6O3S/c1-18(2)15-29-28(37)26(20-13-14-38-17-20)34(22-11-9-21(10-12-22)30-27(36)19-7-8-19)25(35)16-33-24-6-4-3-5-23(24)31-32-33/h3-6,9-14,17-19,26H,7-8,15-16H2,1-2H3,(H,29,37)(H,30,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	2.70E+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