null

SMILES: O=C(Cn1nnc2ccccc12)N(C(C(=O)NC1CCCCC1)c1ccsc1)c1ccc(NC(=O)C2CC2)cc1

InChI Key: InChIKey=SUEWFMYPYKVVDW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 420982   

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 (BtCoV)	BDBM420982 (US9975885, Compound 67) Show SMILES O=C(Cn1nnc2ccccc12)N(C(C(=O)NC1CCCCC1)c1ccsc1)c1ccc(NC(=O)C2CC2)cc1 Show InChI InChI=1S/C30H32N6O3S/c37-27(18-35-26-9-5-4-8-25(26)33-34-35)36(24-14-12-23(13-15-24)31-29(38)20-10-11-20)28(21-16-17-40-19-21)30(39)32-22-6-2-1-3-7-22/h4-5,8-9,12-17,19-20,22,28H,1-3,6-7,10-11,18H2,(H,31,38)(H,32,39)	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 (BtCoV)	BDBM420982 (US9975885, Compound 67) Show SMILES O=C(Cn1nnc2ccccc12)N(C(C(=O)NC1CCCCC1)c1ccsc1)c1ccc(NC(=O)C2CC2)cc1 Show InChI InChI=1S/C30H32N6O3S/c37-27(18-35-26-9-5-4-8-25(26)33-34-35)36(24-14-12-23(13-15-24)31-29(38)20-10-11-20)28(21-16-17-40-19-21)30(39)32-22-6-2-1-3-7-22/h4-5,8-9,12-17,19-20,22,28H,1-3,6-7,10-11,18H2,(H,31,38)(H,32,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	700	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