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Compile Data Set for Download or QSAR

Found 355 hits with Last Name = 'omar' and Initial = 'ma'   
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))
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))
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))
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))
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))
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))
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))
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))
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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50544904
PNG
(CHEMBL4649658)
Show SMILES CC(=O)C(NNc1ccc(cc1)S(N)(=O)=O)Sc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C17H17N5O4S2/c1-10(23)16(22-21-11-6-8-12(9-7-11)28(18,25)26)27-17-19-14-5-3-2-4-13(14)15(24)20-17/h2-9,16,21-22H,1H3,(H2,18,25,26)(H,19,20,24)
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0.730n/an/an/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye based stopp...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115329
BindingDB Entry DOI: 10.7270/Q2057KHR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50544905
PNG
(CHEMBL4640889)
Show SMILES NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)n2)cc1
Show InChI InChI=1S/C17H14F3N5O4S2/c18-17(19,20)11-2-1-3-14(10-11)31(28,29)25-16-22-9-8-15(24-16)23-12-4-6-13(7-5-12)30(21,26)27/h1-10H,(H2,21,26,27)(H2,22,23,24,25)
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1n/an/an/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) using 4-nitrophenyl acetate as substrate incubated for ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115329
BindingDB Entry DOI: 10.7270/Q2057KHR
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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50582924
PNG
(CHEMBL5084107)
Show SMILES COc1ccc(OC)c(c1)-c1nc(SCC(=O)c2ccc(Br)cc2)nc(Nc2ccc(cc2)S(N)(=O)=O)c1C#N
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1.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50582927
PNG
(CHEMBL5089904)
Show SMILES COc1ccc(OC)c(c1)-c1nc(SCC(=O)c2ccc(Br)cc2)nc(Nc2cccc(c2)S(N)(=O)=O)c1C#N
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2.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50582917
PNG
(CHEMBL5089945)
Show SMILES Cc1ccc(cc1)-c1nc(SCC(=O)c2ccccc2)nc(Nc2ccc(cc2)S(N)(=O)=O)c1C#N
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50544906
PNG
(CHEMBL4639543)
Show SMILES NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)c3cccnc3)n2)cc1
Show InChI InChI=1S/C15H14N6O4S2/c16-26(22,23)12-5-3-11(4-6-12)19-14-7-9-18-15(20-14)21-27(24,25)13-2-1-8-17-10-13/h1-10H,(H2,16,22,23)(H2,18,19,20,21)
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4n/an/an/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) using 4-nitrophenyl acetate as substrate incubated for ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115329
BindingDB Entry DOI: 10.7270/Q2057KHR
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50582928
PNG
(CHEMBL5094053)
Show SMILES COc1ccc(cc1)C(=O)CSc1nc(Nc2cccc(c2)S(N)(=O)=O)c(C#N)c(n1)-c1cc(OC)ccc1OC
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4.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.70n/an/an/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye based stopped-flow CO2...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115329
BindingDB Entry DOI: 10.7270/Q2057KHR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50582923
PNG
(CHEMBL5080344)
Show SMILES COc1ccc(OC)c(c1)-c1nc(SCC(=O)c2ccccc2)nc(Nc2ccc(cc2)S(N)(=O)=O)c1C#N
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50582927
PNG
(CHEMBL5089904)
Show SMILES COc1ccc(OC)c(c1)-c1nc(SCC(=O)c2ccc(Br)cc2)nc(Nc2cccc(c2)S(N)(=O)=O)c1C#N
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6.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50582928
PNG
(CHEMBL5094053)
Show SMILES COc1ccc(cc1)C(=O)CSc1nc(Nc2cccc(c2)S(N)(=O)=O)c(C#N)c(n1)-c1cc(OC)ccc1OC
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7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50582917
PNG
(CHEMBL5089945)
Show SMILES Cc1ccc(cc1)-c1nc(SCC(=O)c2ccccc2)nc(Nc2ccc(cc2)S(N)(=O)=O)c1C#N
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7.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50582929
PNG
(CHEMBL5069649)
Show SMILES CC(C)c1nc(SCC(=O)c2ccccc2)nc(Nc2ccc(cc2)S(N)(=O)=O)c1C#N
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7.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50582921
PNG
(CHEMBL5082268)
Show SMILES Cc1ccc(cc1)-c1nc(SCC(=O)c2ccc(Br)cc2)nc(Nc2cccc(c2)S(N)(=O)=O)c1C#N
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7.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50582916
PNG
(CHEMBL5086336)
Show SMILES COc1ccc(cc1)C(=O)CSc1nc(Nc2cccc(c2)S(N)(=O)=O)cc(n1)-c1ccccc1
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8.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50582924
PNG
(CHEMBL5084107)
Show SMILES COc1ccc(OC)c(c1)-c1nc(SCC(=O)c2ccc(Br)cc2)nc(Nc2ccc(cc2)S(N)(=O)=O)c1C#N
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9.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50582933
PNG
(CHEMBL5076687)
Show SMILES CC(C)c1nc(SCC(=O)c2ccc(Br)cc2)nc(Nc2cccc(c2)S(N)(=O)=O)c1C#N
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9.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50582913
PNG
(CHEMBL5075718)
Show SMILES COc1ccc(cc1)C(=O)CSc1nc(Nc2ccc(cc2)S(N)(=O)=O)cc(n1)-c1ccccc1
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9.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50582911
PNG
(CHEMBL5080079)
Show SMILES NS(=O)(=O)c1ccc(Nc2cc(nc(SCC(=O)c3ccccc3)n2)-c2ccccc2)cc1
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9.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50582931
PNG
(CHEMBL5083596)
Show SMILES COc1ccc(cc1)C(=O)CSc1nc(Nc2ccc(cc2)S(N)(=O)=O)c(C#N)c(n1)C(C)C
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9.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50582917
PNG
(CHEMBL5089945)
Show SMILES Cc1ccc(cc1)-c1nc(SCC(=O)c2ccccc2)nc(Nc2ccc(cc2)S(N)(=O)=O)c1C#N
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9.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye based stopp...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115329
BindingDB Entry DOI: 10.7270/Q2057KHR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50582928
PNG
(CHEMBL5094053)
Show SMILES COc1ccc(cc1)C(=O)CSc1nc(Nc2cccc(c2)S(N)(=O)=O)c(C#N)c(n1)-c1cc(OC)ccc1OC
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50582923
PNG
(CHEMBL5080344)
Show SMILES COc1ccc(OC)c(c1)-c1nc(SCC(=O)c2ccccc2)nc(Nc2ccc(cc2)S(N)(=O)=O)c1C#N
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24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye based stopped-flow CO2 ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115329
BindingDB Entry DOI: 10.7270/Q2057KHR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

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KEGG

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CHEMBL
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PC sid
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Article
PubMed
25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114004
BindingDB Entry DOI: 10.7270/Q2JQ14WH
More data for this
Ligand-Target Pair
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