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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 = 'BDBM496955'   
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...)		BDBM496955
PNG
(cmdc.202100576, 22c)
Show SMILES COC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC(C)C
Show InChI InChI=1S/C30H45N5O8/c1-17(2)14-23(27(38)33-22(15-21-12-13-31-26(21)37)25(36)29(40)32-18(3)4)34-28(39)24(19(5)42-6)35-30(41)43-16-20-10-8-7-9-11-20/h7-11,17-19,21-24H,12-16H2,1-6H3,(H,31,37)(H,32,40)(H,33,38)(H,34,39)(H,35,41)/t19?,21-,22-,23-,24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.80n/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