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PubMed code 23123017

Compile data set for download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
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
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50005397
PNG
(CHEMBL2206684)
Show SMILES C=CCn1c(CN2C3=Nc4ccccc4C(=O)NC3=Nc3ccccc23)nc2ccccc12 |c:20,t:7|
Show InChI InChI=1S/C26H20N6O/c1-2-15-31-21-13-7-5-11-19(21)27-23(31)16-32-22-14-8-6-12-20(22)28-24-25(32)29-18-10-4-3-9-17(18)26(33)30-24/h2-14H,1,15-16H2,(H,28,30,33)
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0n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402366
PNG
(CHEMBL2206696)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccncc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H17N5/c23-21-17(22-25-18-8-4-5-9-19(18)26-22)14-20(15-6-2-1-3-7-15)27(21)16-10-12-24-13-11-16/h1-14H,23H2,(H,25,26)
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0.00100n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50005398
PNG
(CHEMBL2206694)
Show SMILES Nc1c(cc(-c2ccccc2)n1Cc1nc2ccccc2[nH]1)C#N
Show InChI InChI=1S/C19H15N5/c20-11-14-10-17(13-6-2-1-3-7-13)24(19(14)21)12-18-22-15-8-4-5-9-16(15)23-18/h1-10H,12,21H2,(H,22,23)
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0.00100n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402360
PNG
(CHEMBL2206681)
Show SMILES Nc1c(cc(-c2ccccc2)n1Cc1nc2ccccc2[nH]1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H20N6/c26-24-17(25-29-20-12-6-7-13-21(20)30-25)14-22(16-8-2-1-3-9-16)31(24)15-23-27-18-10-4-5-11-19(18)28-23/h1-14H,15,26H2,(H,27,28)(H,29,30)
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0.00200n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402378
PNG
(CHEMBL2206685)
Show SMILES CCOC(=O)Cn1c(CN2C3=Nc4ccccc4C(=O)NC3=Nc3ccccc23)nc2ccccc12 |c:23,t:10|
Show InChI InChI=1S/C27H22N6O3/c1-2-36-24(34)16-32-21-13-7-5-11-19(21)28-23(32)15-33-22-14-8-6-12-20(22)29-25-26(33)30-18-10-4-3-9-17(18)27(35)31-25/h3-14H,2,15-16H2,1H3,(H,29,31,35)
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0.00200n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402373
PNG
(CHEMBL2206691)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1cccc(Cl)c1)C#N
Show InChI InChI=1S/C17H12ClN3/c18-14-7-4-8-15(10-14)21-16(9-13(11-19)17(21)20)12-5-2-1-3-6-12/h1-10H,20H2
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0.00200n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402361
PNG
(CHEMBL2206680)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1nc2ccccc2[nH]1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H18N6/c25-22-16(23-26-17-10-4-5-11-18(17)27-23)14-21(15-8-2-1-3-9-15)30(22)24-28-19-12-6-7-13-20(19)29-24/h1-14H,25H2,(H,26,27)(H,28,29)
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0.00200n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402374
PNG
(CHEMBL2206690)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccc(Br)cc1)C#N
Show InChI InChI=1S/C17H12BrN3/c18-14-6-8-15(9-7-14)21-16(10-13(11-19)17(21)20)12-4-2-1-3-5-12/h1-10H,20H2
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0.00300n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402371
PNG
(CHEMBL2206693)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1nc2ccccc2[nH]1)C#N
Show InChI InChI=1S/C18H13N5/c19-11-13-10-16(12-6-2-1-3-7-12)23(17(13)20)18-21-14-8-4-5-9-15(14)22-18/h1-10H,20H2,(H,21,22)
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0.00300n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402372
PNG
(CHEMBL2206692)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C17H12ClN3/c18-14-6-8-15(9-7-14)21-16(10-13(11-19)17(21)20)12-4-2-1-3-5-12/h1-10H,20H2
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0.00300n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402375
PNG
(CHEMBL2206689)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1cccc(Br)c1)C#N
Show InChI InChI=1S/C17H12BrN3/c18-14-7-4-8-15(10-14)21-16(9-13(11-19)17(21)20)12-5-2-1-3-6-12/h1-10H,20H2
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0.00400n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402362
PNG
(CHEMBL2206700)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccc(Cl)cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H17ClN4/c24-16-10-12-17(13-11-16)28-21(15-6-2-1-3-7-15)14-18(22(28)25)23-26-19-8-4-5-9-20(19)27-23/h1-14H,25H2,(H,26,27)
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0.00400n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402363
PNG
(CHEMBL2206699)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1cccc(Cl)c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H17ClN4/c24-16-9-6-10-17(13-16)28-21(15-7-2-1-3-8-15)14-18(22(28)25)23-26-19-11-4-5-12-20(19)27-23/h1-14H,25H2,(H,26,27)
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0.00400n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402370
PNG
(CHEMBL2206683)
Show SMILES O=C1NC2=Nc3ccccc3N(Cc3nc4ccccc4[nH]3)C2=Nc2ccccc12 |c:26,t:3|
Show InChI InChI=1S/C23H16N6O/c30-23-14-7-1-2-8-15(14)27-22-21(28-23)26-18-11-5-6-12-19(18)29(22)13-20-24-16-9-3-4-10-17(16)25-20/h1-12H,13H2,(H,24,25)(H,26,28,30)
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0.00600n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402367
PNG
(CHEMBL2206695)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccccn1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H17N5/c23-21-16(22-25-17-10-4-5-11-18(17)26-22)14-19(15-8-2-1-3-9-15)27(21)20-12-6-7-13-24-20/h1-14H,23H2,(H,25,26)
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0.00700n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402376
PNG
(CHEMBL2206688)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccncc1)C#N
Show InChI InChI=1S/C16H12N4/c17-11-13-10-15(12-4-2-1-3-5-12)20(16(13)18)14-6-8-19-9-7-14/h1-10H,18H2
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0.00800n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402364
PNG
(CHEMBL2206698)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccc(Br)cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H17BrN4/c24-16-10-12-17(13-11-16)28-21(15-6-2-1-3-7-15)14-18(22(28)25)23-26-19-8-4-5-9-20(19)27-23/h1-14H,25H2,(H,26,27)
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0.0110n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402365
PNG
(CHEMBL2206697)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1cccc(Br)c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H17BrN4/c24-16-9-6-10-17(13-16)28-21(15-7-2-1-3-8-15)14-18(22(28)25)23-26-19-11-4-5-12-20(19)27-23/h1-14H,25H2,(H,26,27)
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0.0120n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402377
PNG
(CHEMBL2206687)
Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccccn1)C#N
Show InChI InChI=1S/C16H12N4/c17-11-13-10-14(12-6-2-1-3-7-12)20(16(13)18)15-8-4-5-9-19-15/h1-10H,18H2
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0.0330n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402379
PNG
(CHEMBL2206686)
Show SMILES O=C(CC(C#N)C#N)c1ccccc1
Show InChI InChI=1S/C11H8N2O/c12-7-9(8-13)6-11(14)10-4-2-1-3-5-10/h1-5,9H,6H2
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0.296n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402368
PNG
(CHEMBL2206682)
Show SMILES O=C1NC2=Nc3ccccc3NC2=Nc2ccccc12 |c:14,t:3|
Show InChI InChI=1S/C15H10N4O/c20-15-9-5-1-2-6-10(9)16-13-14(19-15)18-12-8-4-3-7-11(12)17-13/h1-8H,(H,16,17)(H,18,19,20)
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1.30n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50402369
PNG
(CHEMBL1652555)
Show SMILES Nc1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C8H7N3O/c9-7-8(12)11-6-4-2-1-3-5(6)10-7/h1-4H,(H2,9,10)(H,11,12)
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20.8n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Binding affinity to uPAR


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50098137
PNG
(2-amidino-4-iodobenzothiophene | 4-Iodo-benzo[b]th...)
Show SMILES NC(=N)c1cc2c(I)cccc2s1
Show InChI InChI=1S/C9H7IN2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H3,11,12)
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PubMed
n/an/a 320n/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of uPA


Bioorg Med Chem 20: 6989-7001 (2012)


Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%