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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 = 'BDBM423447'   
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...)		BDBM423447
PNG
(WO2005113580-Ex-49)
Show SMILES COc1cccc(OC)c1C(=O)OCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1
Show InChI InChI=1S/C33H40N4O9/c1-18(2)14-23(37-32(41)24-16-20-21(35-24)8-6-9-26(20)43-3)31(40)36-22(15-19-12-13-34-30(19)39)25(38)17-46-33(42)29-27(44-4)10-7-11-28(29)45-5/h6-11,16,18-19,22-23,35H,12-15,17H2,1-5H3,(H,34,39)(H,36,40)(H,37,41)/t19-,22-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2005113580
n/an/a 210n/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