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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 = 'BDBM496958'   
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...)		BDBM496958
PNG
(cmdc.202100576, 22f)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CN1CCC(F)CC1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC(C)C
Show InChI InChI=1S/C33H49FN6O7/c1-20(2)16-26(30(43)37-25(17-23-10-13-35-29(23)42)28(41)32(45)36-21(3)4)38-31(44)27(18-40-14-11-24(34)12-15-40)39-33(46)47-19-22-8-6-5-7-9-22/h5-9,20-21,23-27H,10-19H2,1-4H3,(H,35,42)(H,36,45)(H,37,43)(H,38,44)(H,39,46)/t23-,25-,26-,27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/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