BDBM423414 WO2005113580-Ex-08::cmdc.202100576, 24c

SMILES: CCCC[C@H](NC(=O)c1cc2c(OC)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO

InChI Key: InChIKey=VBDNWOQWUMJPAC-WBAXXEDZSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 423414   

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
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423414 (WO2005113580-Ex-08 | cmdc.202100576, 24c) Show SMILES CCCC[C@H](NC(=O)c1cc2c(OC)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-3-4-6-17(23(32)28-18(20(30)13-29)11-14-9-10-25-22(14)31)27-24(33)19-12-15-16(26-19)7-5-8-21(15)34-2/h5,7-8,12,14,17-18,26,29H,3-4,6,9-11,13H2,1-2H3,(H,25,31)(H,27,33)(H,28,32)/t14-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO	n/a	n/a	20	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
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423414 (WO2005113580-Ex-08 | cmdc.202100576, 24c) Show SMILES CCCC[C@H](NC(=O)c1cc2c(OC)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-3-4-6-17(23(32)28-18(20(30)13-29)11-14-9-10-25-22(14)31)27-24(33)19-12-15-16(26-19)7-5-8-21(15)34-2/h5,7-8,12,14,17-18,26,29H,3-4,6,9-11,13H2,1-2H3,(H,25,31)(H,27,33)(H,28,32)/t14-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	20	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
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423414 (WO2005113580-Ex-08 | cmdc.202100576, 24c) Show SMILES CCCC[C@H](NC(=O)c1cc2c(OC)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-3-4-6-17(23(32)28-18(20(30)13-29)11-14-9-10-25-22(14)31)27-24(33)19-12-15-16(26-19)7-5-8-21(15)34-2/h5,7-8,12,14,17-18,26,29H,3-4,6,9-11,13H2,1-2H3,(H,25,31)(H,27,33)(H,28,32)/t14-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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