null

SMILES: COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CNC(=O)c1ccccc1C#N

InChI Key: InChIKey=HGKFLGSHQSQPHE-LQGLAIQGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 423450   

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 (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423450 (WO2005113580-Ex-52) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CNC(=O)c1ccccc1C#N Show InChI InChI=1S/C32H36N6O6/c1-18(2)13-25(38-32(43)26-15-22-23(36-26)9-6-10-28(22)44-3)31(42)37-24(14-19-11-12-34-29(19)40)27(39)17-35-30(41)21-8-5-4-7-20(21)16-33/h4-10,15,18-19,24-25,36H,11-14,17H2,1-3H3,(H,34,40)(H,35,41)(H,37,42)(H,38,43)/t19-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
Pfizer Inc.					Assay Description Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...				WIPO (2005) BindingDB Entry DOI: 10.7270/Q2PV6NRF
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423450 (WO2005113580-Ex-52) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CNC(=O)c1ccccc1C#N Show InChI InChI=1S/C32H36N6O6/c1-18(2)13-25(38-32(43)26-15-22-23(36-26)9-6-10-28(22)44-3)31(42)37-24(14-19-11-12-34-29(19)40)27(39)17-35-30(41)21-8-5-4-7-20(21)16-33/h4-10,15,18-19,24-25,36H,11-14,17H2,1-3H3,(H,34,40)(H,35,41)(H,37,42)(H,38,43)/t19-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc.					Assay Description The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...				WIPO (2005) BindingDB Entry DOI: 10.7270/Q2PV6NRF
					More data for this Ligand-Target Pair