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BDBM420996 US9975885, Compound 77

SMILES: CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)c1c[nH]cn1

InChI Key:

Data: 9 IC50

PDB links: 1 PDB ID matches this monomer.

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 9 hits for monomerid = 420996   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Replicase polyprotein 1ab


(Feline coronavirus (strain FIPV WSU-79/1146) (FCoV...)
BDBM420996
PNG
(US9975885, Compound 77)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)c1c[nH]cn1
PDB

UniProtKB/SwissProt

GoogleScholar
PDB
UniChem
US Patent
n/an/a 3.30E+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


(PEDV)
BDBM420996
PNG
(US9975885, Compound 77)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)c1c[nH]cn1
PDB

UniProtKB/SwissProt

GoogleScholar
PDB
UniChem
US Patent
n/an/a 500n/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-NL63)
BDBM420996
PNG
(US9975885, Compound 77)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)c1c[nH]cn1
UniProtKB/SwissProt

GoogleScholar
PDB
UniChem
US Patent
n/an/a 5.10E+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


(HCoV-HKU1)
BDBM420996
PNG
(US9975885, Compound 77)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)c1c[nH]cn1
PDB

UniProtKB/SwissProt

GoogleScholar
PDB
UniChem
US Patent
n/an/a 5.00E+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)
BDBM420996
PNG
(US9975885, Compound 77)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)c1c[nH]cn1
PDB

UniProtKB/SwissProt

GoogleScholar
PDB
UniChem
US Patent
n/an/a 3.60E+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
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM420996
PNG
(US9975885, Compound 77)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)c1c[nH]cn1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PDB
UniChem
US Patent
n/an/a 2.30E+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)
BDBM420996
PNG
(US9975885, Compound 77)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)c1c[nH]cn1
PDB

UniProtKB/SwissProt

GoogleScholar
PDB
UniChem
US Patent
n/an/a 1.70E+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)
BDBM420996
PNG
(US9975885, Compound 77)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)c1c[nH]cn1
UniProtKB/SwissProt

GoogleScholar
PDB
UniChem
US Patent
n/an/a 2.40E+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


(HCoV-OC43)
BDBM420996
PNG
(US9975885, Compound 77)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)c1c[nH]cn1
PDB

UniProtKB/SwissProt

GoogleScholar
PDB
UniChem
US Patent
n/an/a 7.00E+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