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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for UniProtKB: P0C6W5   
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


(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
AffyNet 
Purchase

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
Replicase polyprotein 1ab


(BtCoV)
BDBM420993
PNG
(US9975885, Compound 47)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1c[nH]cn1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PDB
UniChem
US Patent
n/an/a 6.40E+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


(BtCoV)
BDBM420991
PNG
(US9975885, Compound 44)
Show SMILES CC(C)(C)CNC(=O)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)C(C)(C)C)c1cccnc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 9.10E+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


(BtCoV)
BDBM420990
PNG
(US9975885, Compound 43)
Show SMILES CC(C)CNC(=O)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)C(C)(C)C)c1cccnc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 1.05E+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)
BDBM420985
PNG
(US9975885, Compound 38)
Show SMILES CC(C)Cc1ccc(cc1)N(C(C(=O)NC(C)(C)C)c1cccnc1)C(=O)c1c[nH]cn1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 1.80E+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)
BDBM420987
PNG
(US9975885, Compound 40)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)C1CCC1)c1cccnc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 1.82E+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)
BDBM420983
PNG
(US9975885, Compound 3P | med.21724, Compound 125)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)C(C)(C)C)c1cccnc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 3.80E+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)
BDBM420994
PNG
(US9975885, Compound 48)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NCc1ccccc1)c1cccnc1)C(=O)c1c[nH]cn1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 4.04E+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