BDBM423469 WO2006061714, P39.4::WO2006061714-ID-14::cmdc.202100576, 10e

SMILES: COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C=O

InChI Key: InChIKey=SEEIOOYGXIFSRU-YJBOKZPZSA-N

Data: 3 IC50  2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 423469   

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
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423469 (WO2006061714, P39.4 | WO2006061714-ID-14 | cmdc.20...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C=O Show InChI InChI=1S/C23H32N4O5/c1-14(2)11-18(22(30)24-15(13-28)9-10-21(29)27(3)4)26-23(31)19-12-16-17(25-19)7-6-8-20(16)32-5/h6-8,12-15,18,25H,9-11H2,1-5H3,(H,24,30)(H,26,31)/t15-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar	PC cid PC sid UniChem	WIPO	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. WIPO					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 WO2005113580A1 (2005) BindingDB Entry DOI: 10.7270/Q2PV6NRF
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423469 (WO2006061714, P39.4 | WO2006061714-ID-14 | cmdc.20...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C=O Show InChI InChI=1S/C23H32N4O5/c1-14(2)11-18(22(30)24-15(13-28)9-10-21(29)27(3)4)26-23(31)19-12-16-17(25-19)7-6-8-20(16)32-5/h6-8,12-15,18,25H,9-11H2,1-5H3,(H,24,30)(H,26,31)/t15-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021)
					More data for this Ligand-Target Pair
C3 like protease (SARS coronavirus Urbani)	BDBM423469 (WO2006061714, P39.4 | WO2006061714-ID-14 | cmdc.20...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C=O Show InChI InChI=1S/C23H32N4O5/c1-14(2)11-18(22(30)24-15(13-28)9-10-21(29)27(3)4)26-23(31)19-12-16-17(25-19)7-6-8-20(16)32-5/h6-8,12-15,18,25H,9-11H2,1-5H3,(H,24,30)(H,26,31)/t15-,18-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	WIPO	n/a	n/a	5.00E+4	n/a	1.80E+7	n/a	n/a	n/a	n/a
Pfizer Inc. WIPO					Assay Description Proteolytic activity of Coronavirus 3C protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS 3CI_pro FRET as...				WIPO WO2006061714A2 (2006)
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423469 (WO2006061714, P39.4 | WO2006061714-ID-14 | cmdc.20...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C=O Show InChI InChI=1S/C23H32N4O5/c1-14(2)11-18(22(30)24-15(13-28)9-10-21(29)27(3)4)26-23(31)19-12-16-17(25-19)7-6-8-20(16)32-5/h6-8,12-15,18,25H,9-11H2,1-5H3,(H,24,30)(H,26,31)/t15-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar	PC cid PC sid UniChem	WIPO	n/a	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a
Pfizer Inc. WIPO					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 WO2005113580A1 (2005) BindingDB Entry DOI: 10.7270/Q2PV6NRF
					More data for this Ligand-Target Pair