BindingDB logo
myBDB logout

null

SMILES: CON(C)C(=O)[C@H](CCC(=O)N(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1

InChI Key: InChIKey=SZYQVFFWGNDCED-OALUTQOASA-N

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 2 hits for monomerid = 423470   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Replicase polyprotein 1ab


(SARS coronavirus Urbani)
BDBM423470
PNG
(WO2006061714, P39.5 | WO2006061714-ID-15)
Show SMILES CON(C)C(=O)[C@H](CCC(=O)N(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1
Show InChI InChI=1S/C25H37N5O6/c1-15(2)13-19(28-24(33)20-14-16-17(26-20)9-8-10-21(16)35-6)23(32)27-18(25(34)30(5)36-7)11-12-22(31)29(3)4/h8-10,14-15,18-19,26H,11-13H2,1-7H3,(H,27,32)(H,28,33)/t18-,19-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO
n/an/a>1.00E+8n/an/an/an/an/an/a



Pfizer Inc.



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 (2006)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423470
PNG
(WO2006061714, P39.5 | WO2006061714-ID-15)
Show SMILES CON(C)C(=O)[C@H](CCC(=O)N(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1
Show InChI InChI=1S/C25H37N5O6/c1-15(2)13-19(28-24(33)20-14-16-17(26-20)9-8-10-21(16)35-6)23(32)27-18(25(34)30(5)36-7)11-12-22(31)29(3)4/h8-10,14-15,18-19,26H,11-13H2,1-7H3,(H,27,32)(H,28,33)/t18-,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO
n/an/a>1.00E+5n/an/an/an/an/an/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