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Articleid 6103

Compile data set for download or QSAR
Found 46 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


(Homo sapiens (Human))
BDBM92292
PNG
(uPa_17)
Show SMILES COC(=O)Nc1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1ccc(CN)cc1
Show InChI InChI=1S/C21H21N5O3/c1-29-21(28)26-18-10-15(8-13-4-5-14(19(23)24)9-17(13)18)20(27)25-16-6-2-12(11-22)3-7-16/h2-10H,11,22H2,1H3,(H3,23,24)(H,25,27)(H,26,28)
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0.892n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92321
PNG
(uPa_43)
Show SMILES CC(C)C1N(C)CCc2ccc(cc12)C1CC1c1cc(\C=C\C2CC2)c2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C32H37N3/c1-19(2)31-30-16-24(9-8-21(30)12-13-35(31)3)28-18-29(28)26-14-22(7-6-20-4-5-20)27-17-25(32(33)34)11-10-23(27)15-26/h6-11,14-17,19-20,28-29,31H,4-5,12-13,18H2,1-3H3,(H3,33,34)/b7-6+
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9n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92302
PNG
(uPa_26)
Show SMILES CC(C)C1=NCCc2ccc(NC(=O)c3cc(Br)c4cc(ccc4c3)C(N)=N)cc12
Show InChI InChI=1S/C24H23BrN4O/c1-13(2)22-20-12-18(6-5-14(20)7-8-28-22)29-24(30)17-9-15-3-4-16(23(26)27)10-19(15)21(25)11-17/h3-6,9-13H,7-8H2,1-2H3,(H3,26,27)(H,29,30)
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15.7n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92313
PNG
(uPa_36)
Show SMILES COC(=O)Nc1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H18N4O3/c1-27-20(26)24-17-11-14(19(25)23-15-5-3-2-4-6-15)9-12-7-8-13(18(21)22)10-16(12)17/h2-11H,1H3,(H3,21,22)(H,23,25)(H,24,26)
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18n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92316
PNG
(uPa_39)
Show SMILES COC\C=C\c1cc(cc2ccc(cc12)C(N)=N)C1CC1c1ccc2CCN(C)C(C(C)C)c2c1
Show InChI InChI=1S/C31H37N3O/c1-19(2)30-29-16-23(8-7-20(29)11-12-34(30)3)27-18-28(27)25-14-21(6-5-13-35-4)26-17-24(31(32)33)10-9-22(26)15-25/h5-10,14-17,19,27-28,30H,11-13,18H2,1-4H3,(H3,32,33)/b6-5+
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21n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92304
PNG
(uPa_28)
Show SMILES COc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC(C)C)c1
Show InChI InChI=1S/C22H23N3O3/c1-13(2)28-20-11-18(10-19(12-20)27-3)25-22(26)17-7-5-14-8-16(21(23)24)6-4-15(14)9-17/h4-13H,1-3H3,(H3,23,24)(H,25,26)
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33.3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
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40n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92287
PNG
(uPa_10)
Show SMILES COC(=O)Nc1cccc2ccc(cc12)C(N)=N
Show InChI InChI=1S/C13H13N3O2/c1-18-13(17)16-11-4-2-3-8-5-6-9(12(14)15)7-10(8)11/h2-7H,1H3,(H3,14,15)(H,16,17)
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40n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92319
PNG
(uPa_41)
Show SMILES CN1CCc2ccc(cc2C1C1CCC1)C1CC1c1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C28H31N3/c1-31-12-11-17-5-8-22(15-26(17)27(31)18-3-2-4-18)25-16-24(25)21-9-6-20-14-23(28(29)30)10-7-19(20)13-21/h5-10,13-15,18,24-25,27H,2-4,11-12,16H2,1H3,(H3,29,30)
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42n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92293
PNG
(uPa_18)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C#Cc1ccc2CNCCc2c1
Show InChI InChI=1S/C22H19N3/c23-22(24)20-8-7-17-11-15(3-5-18(17)13-20)1-2-16-4-6-21-14-25-10-9-19(21)12-16/h3-8,11-13,25H,9-10,14H2,(H3,23,24)
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58.8n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92308
PNG
(uPa_31)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CCN=C(C3CCCCC3)c2c1
Show InChI InChI=1S/C27H28N4O/c28-26(29)21-8-6-20-15-22(9-7-19(20)14-21)27(32)31-23-11-10-17-12-13-30-25(24(17)16-23)18-4-2-1-3-5-18/h6-11,14-16,18H,1-5,12-13H2,(H3,28,29)(H,31,32)
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66.3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92320
PNG
(uPa_42)
Show SMILES COc1cc(cc2ccc(cc12)C(N)=N)C1CC1c1ccc2CCN(C)C(C(C)C)c2c1
Show InChI InChI=1S/C28H33N3O/c1-16(2)27-25-12-19(6-5-17(25)9-10-31(27)3)22-15-23(22)21-11-18-7-8-20(28(29)30)13-24(18)26(14-21)32-4/h5-8,11-14,16,22-23,27H,9-10,15H2,1-4H3,(H3,29,30)
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94n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92318
PNG
(uPa_40)
Show SMILES CN1CCc2ccc(\C=C\c3ccc4cc(ccc4c3)C(N)=N)cc2C1C1CCCCC1
Show InChI InChI=1S/C29H33N3/c1-32-16-15-22-11-9-21(18-27(22)28(32)23-5-3-2-4-6-23)8-7-20-10-12-25-19-26(29(30)31)14-13-24(25)17-20/h7-14,17-19,23,28H,2-6,15-16H2,1H3,(H3,30,31)/b8-7+
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223n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92305
PNG
(uPa_29)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CCN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C27H22N4O/c28-26(29)21-8-6-20-15-22(9-7-19(20)14-21)27(32)31-23-11-10-17-12-13-30-25(24(17)16-23)18-4-2-1-3-5-18/h1-11,14-16H,12-13H2,(H3,28,29)(H,31,32)
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290n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92294
PNG
(uPa_19)
Show SMILES NC(=N)c1ccc2cc(\C=C\c3cccc(CCO)c3)ccc2c1
Show InChI InChI=1S/C21H20N2O/c22-21(23)20-9-8-18-13-17(6-7-19(18)14-20)5-4-15-2-1-3-16(12-15)10-11-24/h1-9,12-14,24H,10-11H2,(H3,22,23)/b5-4+
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406n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM50147092
PNG
(8-Amino-naphthalene-2-carboxamidine | 8-amino-2-na...)
Show SMILES NC(=N)c1ccc2cccc(N)c2c1
Show InChI InChI=1S/C11H11N3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6H,12H2,(H3,13,14)
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450n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92289
PNG
(uPa_12)
Show SMILES NC(=N)c1ccc2cc(NC(=O)Nc3ccccc3)ccc2c1
Show InChI InChI=1S/C18H16N4O/c19-17(20)14-7-6-13-11-16(9-8-12(13)10-14)22-18(23)21-15-4-2-1-3-5-15/h1-11H,(H3,19,20)(H2,21,22,23)
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610n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92325
PNG
(uPa_8)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C1OC1c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-19(21)16-9-7-13-10-15(8-6-14(13)11-16)18-17(22-18)12-4-2-1-3-5-12/h1-11,17-18H,(H3,20,21)
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610n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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628n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM50147085
PNG
(7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NA...)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
Show InChI InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
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630n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92317
PNG
(uPa_4)
Show SMILES COc1ccc2ccc(cc2c1OCC(N)=O)C(N)=N
Show InChI InChI=1S/C14H15N3O3/c1-19-11-5-4-8-2-3-9(14(16)17)6-10(8)13(11)20-7-12(15)18/h2-6H,7H2,1H3,(H2,15,18)(H3,16,17)
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637n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92301
PNG
(uPa_25)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C#Cc1cccc(OC2CCCC2)c1
Show InChI InChI=1S/C24H22N2O/c25-24(26)21-13-12-19-14-18(10-11-20(19)16-21)9-8-17-4-3-7-23(15-17)27-22-5-1-2-6-22/h3-4,7,10-16,22H,1-2,5-6H2,(H3,25,26)
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665n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92296
PNG
(uPa_20)
Show SMILES CS(=O)(=O)n1cc(cn1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H19N5O3S/c1-31(29,30)27-13-17(12-25-27)20-11-16(22(28)26-18-5-3-2-4-6-18)9-14-7-8-15(21(23)24)10-19(14)20/h2-13H,1H3,(H3,23,24)(H,26,28)
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769n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92315
PNG
(uPa_38)
Show SMILES CCOc1cc(OCC)c(\C=C\c2cc(Br)c3cc(ccc3c2)C(N)=N)cc1OCC
Show InChI InChI=1S/C25H27BrN2O3/c1-4-29-22-15-24(31-6-3)23(30-5-2)14-18(22)8-7-16-11-17-9-10-19(25(27)28)13-20(17)21(26)12-16/h7-15H,4-6H2,1-3H3,(H3,27,28)/b8-7+
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777n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92322
PNG
(uPa_44)
Show SMILES CN1CCc2ccc(cc2C1c1cccnc1)C1CC1c1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C29H28N4/c1-33-12-10-18-4-7-22(15-27(18)28(33)24-3-2-11-32-17-24)26-16-25(26)21-8-5-20-14-23(29(30)31)9-6-19(20)13-21/h2-9,11,13-15,17,25-26,28H,10,12,16H2,1H3,(H3,30,31)
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1.25E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92314
PNG
(uPa_37)
Show SMILES CS(=O)(=O)Nc1cc(CCc2ccccc2)cc2ccc(cc12)C(N)=N
Show InChI InChI=1S/C20H21N3O2S/c1-26(24,25)23-19-12-15(8-7-14-5-3-2-4-6-14)11-16-9-10-17(20(21)22)13-18(16)19/h2-6,9-13,23H,7-8H2,1H3,(H3,21,22)
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1.49E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92309
PNG
(uPa_32)
Show SMILES NC(=N)c1ccc2cc(\C=C\CCc3cccnc3)cc(Br)c2c1
Show InChI InChI=1S/C20H18BrN3/c21-19-11-15(5-2-1-4-14-6-3-9-24-13-14)10-16-7-8-17(20(22)23)12-18(16)19/h2-3,5-13H,1,4H2,(H3,22,23)/b5-2+
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3.08E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92298
PNG
(uPa_22)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(NCc2cc(Cl)cc(Cl)c2)nc1N
Show InChI InChI=1S/C13H12Cl3N7O/c14-6-1-5(2-7(15)3-6)4-20-11-9(16)21-8(10(17)22-11)12(24)23-13(18)19/h1-3H,4H2,(H3,17,20,22)(H4,18,19,23,24)
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3.57E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92288
PNG
(uPa_11)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)C(C)C)C(N)=N
Show InChI InChI=1S/C18H20N4O/c1-11(2)22-10-14(9-21-22)17-15-8-13(18(19)20)5-4-12(15)6-7-16(17)23-3/h4-11H,1-3H3,(H3,19,20)
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4.50E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM50138663
PNG
(2-naphthimidamide | CHEMBL105171 | Naphthalene-2-c...)
Show SMILES NC(=N)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13)
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5.91E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92306
PNG
(uPa_3)
Show SMILES COc1ccc2ccc(cc2c1OCCCBr)C(N)=N
Show InChI InChI=1S/C15H17BrN2O2/c1-19-13-6-5-10-3-4-11(15(17)18)9-12(10)14(13)20-8-2-7-16/h3-6,9H,2,7-8H2,1H3,(H3,17,18)
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6.39E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92324
PNG
(uPa_5)
Show SMILES CC(C)Oc1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C14H16N2O/c1-9(2)17-13-6-5-10-7-12(14(15)16)4-3-11(10)8-13/h3-9H,1-2H3,(H3,15,16)
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7.28E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92297
PNG
(uPa_21)
Show SMILES NC(=N)c1ccc2cc(cc(-c3ncccn3)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H17N5O/c23-20(24)15-8-7-14-11-16(22(28)27-17-5-2-1-3-6-17)13-19(18(14)12-15)21-25-9-4-10-26-21/h1-13H,(H3,23,24)(H,27,28)
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7.85E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92295
PNG
(uPa_2)
Show SMILES COc1cc2ccc(cc2c(OC)c1OC)C(N)=N
Show InChI InChI=1S/C14H16N2O3/c1-17-11-7-8-4-5-9(14(15)16)6-10(8)12(18-2)13(11)19-3/h4-7H,1-3H3,(H3,15,16)
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8.03E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92290
PNG
(uPa_14)
Show SMILES NC(=N)c1ccc2cc(NS(=O)(=O)c3ccccc3)ccc2c1
Show InChI InChI=1S/C17H15N3O2S/c18-17(19)14-7-6-13-11-15(9-8-12(13)10-14)20-23(21,22)16-4-2-1-3-5-16/h1-11,20H,(H3,18,19)
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8.70E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92307
PNG
(uPa_30)
Show SMILES Nc1ccc2cccc(NC(=O)NCC=C)c2n1
Show InChI InChI=1S/C13H14N4O/c1-2-8-15-13(18)16-10-5-3-4-9-6-7-11(14)17-12(9)10/h2-7H,1,8H2,(H2,14,17)(H2,15,16,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM50091818
PNG
(CHEMBL61743 | Isoquinolin-3-ylamine | uPa_46)
Show SMILES Nc1cc2ccccc2cn1
Show InChI InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11)
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D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92291
PNG
(uPa_16)
Show SMILES Nc1ccc2cccc(OCCC(C#N)(c3ccccc3)c3ccccc3)c2n1
Show InChI InChI=1S/C25H21N3O/c26-18-25(20-9-3-1-4-10-20,21-11-5-2-6-12-21)16-17-29-22-13-7-8-19-14-15-23(27)28-24(19)22/h1-15H,16-17H2,(H2,27,28)
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>4.00E+4n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92303
PNG
(uPa_27)
Show SMILES COC(=O)Nc1ccc2nc(ccc2c1)C(N)=N
Show InChI InChI=1S/C12H12N4O2/c1-18-12(17)15-8-3-5-9-7(6-8)2-4-10(16-9)11(13)14/h2-6H,1H3,(H3,13,14)(H,15,17)
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>5.00E+4n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92286
PNG
(uPa_1)
Show SMILES Nc1cnc2ccccc2n1
Show InChI InChI=1S/C8H7N3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,11)
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D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92300
PNG
(uPa_24)
Show SMILES COC(=O)Nc1ccc2nc(N)ccc2c1
Show InChI InChI=1S/C11H11N3O2/c1-16-11(15)13-8-3-4-9-7(6-8)2-5-10(12)14-9/h2-6H,1H3,(H2,12,14)(H,13,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92311
PNG
(uPa_34)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1ccc2ccc(N)nc2c1
Show InChI InChI=1S/C18H25N3O/c1-12(2)10-21(11-13(3)4)18(22)15-6-5-14-7-8-17(19)20-16(14)9-15/h5-9,12-13H,10-11H2,1-4H3,(H2,19,20)
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D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92312
PNG
(uPa_35)
Show SMILES CN(CC#N)C(=O)c1ccc2ccc(N)nc2c1
Show InChI InChI=1S/C13H12N4O/c1-17(7-6-14)13(18)10-3-2-9-4-5-12(15)16-11(9)8-10/h2-5,8H,7H2,1H3,(H2,15,16)
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>1.00E+5n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92323
PNG
(uPa_45)
Show SMILES NC(=N)NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C8H9ClN4O3S/c9-5-2-1-4(7(14)13-8(10)11)3-6(5)17(12,15)16/h1-3H,(H2,12,15,16)(H4,10,11,13,14)
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>1.00E+5n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92310
PNG
(uPa_33)
Show SMILES CN(CC#C)C(=O)c1ccc2ccc(N)nc2c1
Show InChI InChI=1S/C14H13N3O/c1-3-8-17(2)14(18)11-5-4-10-6-7-13(15)16-12(10)9-11/h1,4-7,9H,8H2,2H3,(H2,15,16)
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D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM92299
PNG
(uPa_23)
Show SMILES Nc1ccc2nc(N)ccc2c1
Show InChI InChI=1S/C9H9N3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,10H2,(H2,11,12)
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>1.04E+5n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%