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Compile Data Set for Download or QSAR

Found 160 hits with Last Name = 'tillotson' and Initial = 'jp'   
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...)
BDBM652272
PNG
(US11905306, No. 59)
Show SMILES O=C(Nc1ccc(cc1)N1CCCCC1=O)c1cccc(c1)C#Cc1ccccn1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 1.05E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652272
PNG
(US11905306, No. 59)
Show SMILES O=C(Nc1ccc(cc1)N1CCCCC1=O)c1cccc(c1)C#Cc1ccccn1
PDB
MMDB

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n/an/an/an/a 2.00E+3n/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652273
PNG
(US11905306, No. 60)
Show SMILES O=C(Nc1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1)N1CCC1
PDB
MMDB

KEGG

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UniChem
n/an/an/an/a 3.93E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652273
PNG
(US11905306, No. 60)
Show SMILES O=C(Nc1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1)N1CCC1
PDB
MMDB

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n/an/an/an/a 7.75E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652274
PNG
(US11905306, No. 61)
Show SMILES CC1(CC1)NC(=O)c1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1
PDB
MMDB

KEGG

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UniChem
n/an/an/an/a>3.00E+4n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652274
PNG
(US11905306, No. 61)
Show SMILES CC1(CC1)NC(=O)c1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1
PDB
MMDB

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n/an/an/an/a 710n/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652275
PNG
(US11905306, No. 62)
Show SMILES O=C(NC1CCCC1)c1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1
PDB
MMDB

KEGG

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n/an/an/an/a>3.00E+4n/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652275
PNG
(US11905306, No. 62)
Show SMILES O=C(NC1CCCC1)c1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1
PDB
MMDB

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n/an/an/an/a 480n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652276
PNG
(US11905306, No. 63)
Show SMILES COC(=O)c1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/an/an/a 430n/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652276
PNG
(US11905306, No. 63)
Show SMILES COC(=O)c1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1
PDB
MMDB

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n/an/an/an/a 550n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652277
PNG
(US11905306, No. 64)
Show SMILES COC(=O)c1cccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)c1
PDB
MMDB

KEGG

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UniChem
n/an/an/an/a 4.19E+3n/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652277
PNG
(US11905306, No. 64)
Show SMILES COC(=O)c1cccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)c1
PDB
MMDB

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n/an/an/an/a>3.00E+4n/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652278
PNG
(US11905306, No. 65)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
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PC sid
UniChem
n/an/an/an/a 160n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652278
PNG
(US11905306, No. 65)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1
PDB
MMDB

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n/an/an/an/a 460n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652279
PNG
(US11905306, No. 66)
Show SMILES O=C(Nc1ccc(cc1)C(=O)OCC1CC1)c1cccc(c1)C#Cc1ccccn1
PDB
MMDB

KEGG

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UniChem
n/an/an/an/a 490n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652279
PNG
(US11905306, No. 66)
Show SMILES O=C(Nc1ccc(cc1)C(=O)OCC1CC1)c1cccc(c1)C#Cc1ccccn1
PDB
MMDB

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n/an/an/an/a 830n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652280
PNG
(US11905306, No. 67)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
n/an/an/an/a 3.51E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652280
PNG
(US11905306, No. 67)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1
PDB
MMDB

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n/an/an/an/a 4.25E+3n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652281
PNG
(US11905306, No. 68)
Show SMILES OC(c1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1)(C(F)(F)F)C(F)(F)F
PDB
MMDB

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n/an/an/an/a 520n/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652281
PNG
(US11905306, No. 68)
Show SMILES OC(c1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1)(C(F)(F)F)C(F)(F)F
PDB
MMDB

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n/an/an/an/a 2.77E+4n/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652282
PNG
(US11905306, No. 69)
Show SMILES CC(C)n1nccc1-c1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1
PDB
MMDB

KEGG

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UniChem
n/an/an/an/a 240n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652282
PNG
(US11905306, No. 69)
Show SMILES CC(C)n1nccc1-c1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1
PDB
MMDB

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n/an/an/an/a 450n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652283
PNG
(US11905306, No. 70)
Show SMILES O=C(Nc1ccc(cc1)N1CCCCS1(=O)=O)c1cccc(c1)C#Cc1ccccn1
PDB
MMDB

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UniChem
n/an/an/an/a 1.29E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652283
PNG
(US11905306, No. 70)
Show SMILES O=C(Nc1ccc(cc1)N1CCCCS1(=O)=O)c1cccc(c1)C#Cc1ccccn1
PDB
MMDB

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n/an/an/an/a 1.08E+3n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652284
PNG
(US11905306, No. 71)
Show SMILES CC(=O)Nc1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cn1
PDB
MMDB

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UniChem
n/an/an/an/a 3.98E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652284
PNG
(US11905306, No. 71)
Show SMILES CC(=O)Nc1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cn1
PDB
MMDB

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n/an/an/an/a 4.13E+3n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652285
PNG
(US11905306, No. 72)
Show SMILES COc1cc(cc(c1)C(=O)Nc1ccc(cc1)N1CCCCC1=O)C#Cc1ccccn1
PDB
MMDB

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n/an/an/an/a 240n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652285
PNG
(US11905306, No. 72)
Show SMILES COc1cc(cc(c1)C(=O)Nc1ccc(cc1)N1CCCCC1=O)C#Cc1ccccn1
PDB
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n/an/an/an/a 510n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652286
PNG
(US11905306, No. 73)
Show SMILES CCOP(=O)(OCC)c1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1
PDB
MMDB

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n/an/an/an/a 180n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652286
PNG
(US11905306, No. 73)
Show SMILES CCOP(=O)(OCC)c1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1
PDB
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n/an/an/an/a 450n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652287
PNG
(US11905306, No. 74)
Show SMILES O=C(Nc1ccc(cc1)N1CCCS1(=O)=O)c1cccc(c1)C#Cc1ccccn1
PDB
MMDB

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n/an/an/an/a 910n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652287
PNG
(US11905306, No. 74)
Show SMILES O=C(Nc1ccc(cc1)N1CCCS1(=O)=O)c1cccc(c1)C#Cc1ccccn1
PDB
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n/an/an/an/a>3.00E+4n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652288
PNG
(US11905306, No. 75)
Show SMILES COc1cc(cc(c1)C(=O)Nc1ccc(cc1)N1CCCCS1(=O)=O)C#Cc1ccccn1
PDB
MMDB

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n/an/an/an/a 65n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652288
PNG
(US11905306, No. 75)
Show SMILES COc1cc(cc(c1)C(=O)Nc1ccc(cc1)N1CCCCS1(=O)=O)C#Cc1ccccn1
PDB
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n/an/an/an/a 128n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652289
PNG
(US11905306, No. 76)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)N2CCCCS2(=O)=O)cc(c1)C#Cc1ccccn1
PDB
MMDB

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n/an/an/an/a 172n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652289
PNG
(US11905306, No. 76)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)N2CCCCS2(=O)=O)cc(c1)C#Cc1ccccn1
PDB
MMDB

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n/an/an/an/a 189n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652290
PNG
(US11905306, No. 77)
Show SMILES O=C(Nc1cccc(c1)C#Cc1ccccn1)c1ccc(cc1)N1CCCCS1(=O)=O
PDB
MMDB

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n/an/an/an/a 791n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652290
PNG
(US11905306, No. 77)
Show SMILES O=C(Nc1cccc(c1)C#Cc1ccccn1)c1ccc(cc1)N1CCCCS1(=O)=O
PDB
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n/an/an/an/a 957n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652291
PNG
(US11905306, No. 78)
Show SMILES O=C(Nc1cc(cc(c1)C#Cc1ccccn1)C#N)c1ccc(cc1)N1CCCCC1=O
PDB
MMDB

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n/an/an/an/a 1.55E+3n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652291
PNG
(US11905306, No. 78)
Show SMILES O=C(Nc1cc(cc(c1)C#Cc1ccccn1)C#N)c1ccc(cc1)N1CCCCC1=O
PDB
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n/an/an/an/a 1.97E+3n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652292
PNG
(US11905306, No. 79)
Show SMILES COc1cc(cc(c1)C(=O)Nc1ccc(CC2CC(=O)NC2=O)cc1)C#Cc1ccccn1
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n/an/an/an/a 4.45E+3n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652292
PNG
(US11905306, No. 79)
Show SMILES COc1cc(cc(c1)C(=O)Nc1ccc(CC2CC(=O)NC2=O)cc1)C#Cc1ccccn1
PDB
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n/an/an/an/a 8.19E+3n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652293
PNG
(US11905306, No. 80)
Show SMILES NS(=O)(=O)Cc1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1
PDB
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n/an/an/an/a 1.43E+4n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652293
PNG
(US11905306, No. 80)
Show SMILES NS(=O)(=O)Cc1ccc(NC(=O)c2cccc(c2)C#Cc2ccccn2)cc1
PDB
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n/an/an/an/a>3.00E+4n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652214
PNG
(US11905306, No. 1)
Show SMILES O=C(Nc1cccc(c1)C#Cc1ccccn1)c1ccc2NC(=O)CCc2c1
PDB
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n/an/an/an/a 5.07E+3n/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652214
PNG
(US11905306, No. 1)
Show SMILES O=C(Nc1cccc(c1)C#Cc1ccccn1)c1ccc2NC(=O)CCc2c1
PDB
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n/an/an/an/a 5.81E+3n/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652215
PNG
(US11905306, No. 2)
Show SMILES CN1C(=O)CCc2cc(ccc12)C(=O)Nc1cccc(c1)C#Cc1ccccn1
PDB
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n/an/an/an/a 1.46E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652215
PNG
(US11905306, No. 2)
Show SMILES CN1C(=O)CCc2cc(ccc12)C(=O)Nc1cccc(c1)C#Cc1ccccn1
PDB
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n/an/an/an/a 2.55E+3n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM652216
PNG
(US11905306, No. 3)
Show SMILES O=C(Nc1cccc(c1)C#Cc1ccccn1)c1ccc2NC(=O)OCc2c1
PDB
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n/an/an/an/a>3.00E+4n/an/an/an/a


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More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM652216
PNG
(US11905306, No. 3)
Show SMILES O=C(Nc1cccc(c1)C#Cc1ccccn1)c1ccc2NC(=O)OCc2c1
PDB
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n/an/an/an/a 1.16E+4n/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
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