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SMILES: CC(C)C(=O)Nc1ccc(cc1)N(C(C(=O)NCc1ccccc1)c1ccc(Cl)c(F)c1)C(=O)Cn1nnc2ccccc12

InChI Key: InChIKey=ISHXMYLDUPUTFN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 420957   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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...)		BDBM420957
PNG
(US9975885, Compound 55)
Show SMILES CC(C)C(=O)Nc1ccc(cc1)N(C(C(=O)NCc1ccccc1)c1ccc(Cl)c(F)c1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C33H30ClFN6O3/c1-21(2)32(43)37-24-13-15-25(16-14-24)41(30(42)20-40-29-11-7-6-10-28(29)38-39-40)31(23-12-17-26(34)27(35)18-23)33(44)36-19-22-8-4-3-5-9-22/h3-18,21,31H,19-20H2,1-2H3,(H,36,44)(H,37,43)
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MMDB

KEGG

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US Patent
n/an/a 800n/an/an/an/an/an/a



PURDUE RESEARCH FOUNDATION

US Patent


Assay Description
The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following...

US Patent US9975885 (2018)


BindingDB Entry DOI: 10.7270/Q2TQ63XX
More data for this
Ligand-Target Pair