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SMILES: CC(C)(C)NC(=O)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)C1CC1)c1cccnc1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 420986   
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


(PEDV)
BDBM420986
PNG
(US9975885, Compound 39)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)C1CC1)c1cccnc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 1.76E+4n/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
Replicase polyprotein 1ab


(HCoV-HKU1)
BDBM420986
PNG
(US9975885, Compound 39)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)C1CC1)c1cccnc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 2.00E+3n/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
Replicase polyprotein 1ab


(BtCoV)
BDBM420986
PNG
(US9975885, Compound 39)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)C1CC1)c1cccnc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 1.57E+4n/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
Replicase polyprotein 1ab


(BtCoV)
BDBM420986
PNG
(US9975885, Compound 39)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)C1CC1)c1cccnc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 1.66E+4n/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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM420986
PNG
(US9975885, Compound 39)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)C1CC1)c1cccnc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 1.27E+4n/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