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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM423445'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM423445
PNG
(WO2005113580-Ex-47)
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)COC(=O)c1c(C)cccc1C
Show InChI InChI=1S/C33H40N4O7/c1-18(2)14-25(37-32(41)26-16-22-23(35-26)10-7-11-28(22)43-5)31(40)36-24(15-21-12-13-34-30(21)39)27(38)17-44-33(42)29-19(3)8-6-9-20(29)4/h6-11,16,18,21,24-25,35H,12-15,17H2,1-5H3,(H,34,39)(H,36,40)(H,37,41)/t21-,24-,25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2005113580
n/an/a 160n/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