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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 = 'BDBM496899'   
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...)		BDBM496899
PNG
(TG-0204998 | cmdc.202100576, 5f)
Show SMILES COC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)NC(=O)C(C)(C)C
Show InChI InChI=1S/C33H49N5O8/c1-20(2)17-25(29(41)36-24(13-14-26(39)45-7)18-23-15-16-34-28(23)40)37-30(42)27(21(3)35-31(43)33(4,5)6)38-32(44)46-19-22-11-9-8-10-12-22/h8-14,20-21,23-25,27H,15-19H2,1-7H3,(H,34,40)(H,35,43)(H,36,41)(H,37,42)(H,38,44)/b14-13+/t21?,23-,24+,25-,27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 38n/an/an/an/an/an/an/an/a



Experimental Drug Development Centre



Assay Description
Please point to the patents.

ChemMedChem (2021)


Article DOI: 10.1002/cmdc.202100576
BindingDB Entry DOI: 10.7270/Q27M0C3W
More data for this
Ligand-Target Pair