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Compile Data Set for Download or QSAR

Found 79 hits from 3-Dimensional Pharmaceuticals Inc.   
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
Prothrombin


(Homo sapiens (Human))
BDBM50064653
PNG
(2-Chloro-benzenesulfonic acid 3-methyl-5-[2-(methy...)
Show SMILES CN(CCOc1cc(C)cc(OS(=O)(=O)c2ccccc2Cl)c1)c1ccncc1
Show InChI InChI=1S/C21H21ClN2O4S/c1-16-13-18(27-12-11-24(2)17-7-9-23-10-8-17)15-19(14-16)28-29(25,26)21-6-4-3-5-20(21)22/h3-10,13-15H,11-12H2,1-2H3
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24n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of thrombin


J Med Chem 41: 2068-75 (1998)


Article DOI: 10.1021/jm970796l
BindingDB Entry DOI: 10.7270/Q269748G
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50109377
PNG
(4-[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-5-methyl...)
Show SMILES COc1ccc(cc1OC)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C17H17N3O2S3/c1-21-12-5-4-9(6-13(12)22-2)11-8-24-16(20-11)10-7-14(15(18)19)25-17(10)23-3/h4-8H,1-3H3,(H3,18,19)
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58n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


Article DOI: 10.1016/s0960-894x(01)00787-9
BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099921
PNG
(5-Methylsulfanyl-4-(4-phenyl-thiazol-2-yl)-thiophe...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C15H13N3S3/c1-19-15-10(7-12(21-15)13(16)17)14-18-11(8-20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17)
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90n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099921
PNG
(5-Methylsulfanyl-4-(4-phenyl-thiazol-2-yl)-thiophe...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C15H13N3S3/c1-19-15-10(7-12(21-15)13(16)17)14-18-11(8-20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17)
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101n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


Article DOI: 10.1016/s0960-894x(01)00787-9
BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099900
PNG
(4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-methylsulfa...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(Cl)cc1)C(N)=N
Show InChI InChI=1S/C15H12ClN3S3/c1-20-15-10(6-12(22-15)13(17)18)14-19-11(7-21-14)8-2-4-9(16)5-3-8/h2-7H,1H3,(H3,17,18)
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102n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


Article DOI: 10.1016/s0960-894x(01)00787-9
BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50109381
PNG
(5-Methyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-car...)
Show SMILES Cc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C15H13N3S2/c1-9-11(7-13(20-9)14(16)17)15-18-12(8-19-15)10-5-3-2-4-6-10/h2-8H,1H3,(H3,16,17)
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103n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


Article DOI: 10.1016/s0960-894x(01)00787-9
BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50109378
PNG
(5-Ethyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carb...)
Show SMILES CCc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C16H15N3S2/c1-2-13-11(8-14(21-13)15(17)18)16-19-12(9-20-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H3,17,18)
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138n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


Article DOI: 10.1016/s0960-894x(01)00787-9
BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50109376
PNG
(4-[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-5-methyl...)
Show SMILES COc1ccc(cc1OC)-c1csc(n1)-c1cc(sc1C)C(N)=N
Show InChI InChI=1S/C17H17N3O2S2/c1-9-11(7-15(24-9)16(18)19)17-20-12(8-23-17)10-4-5-13(21-2)14(6-10)22-3/h4-8H,1-3H3,(H3,18,19)
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169n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


Article DOI: 10.1016/s0960-894x(01)00787-9
BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50064652
PNG
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C19H30N6O2/c20-15(13-14-7-2-1-3-8-14)18(27)25-12-6-9-16(25)17(26)23-10-4-5-11-24-19(21)22/h1-3,7-8,15-16H,4-6,9-13,20H2,(H,23,26)(H4,21,22,24)/t15-,16+/m1/s1
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180n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of thrombin


J Med Chem 41: 2068-75 (1998)


Article DOI: 10.1021/jm970796l
BindingDB Entry DOI: 10.7270/Q269748G
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099932
PNG
(5-Methylsulfanyl-4-(2-phenyl-thiazol-4-yl)-thiophe...)
Show SMILES CSc1sc(cc1-c1csc(n1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C15H13N3S3/c1-19-15-10(7-12(21-15)13(16)17)11-8-20-14(18-11)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17)
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200n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
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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320n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


Article DOI: 10.1016/s0960-894x(01)00787-9
BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099926
PNG
(4-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-benzo[b]thio...)
Show SMILES NC(=N)c1cc2c(\C=C\c3ccc4OCOc4c3)cccc2s1
Show InChI InChI=1S/C18H14N2O2S/c19-18(20)17-9-13-12(2-1-3-16(13)23-17)6-4-11-5-7-14-15(8-11)22-10-21-14/h1-9H,10H2,(H3,19,20)/b6-4+
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530n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50109379
PNG
(5-Methoxy-4-(4-phenyl-thiazol-2-yl)-thiophene-2-ca...)
Show SMILES COc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C15H13N3OS2/c1-19-15-10(7-12(21-15)13(16)17)14-18-11(8-20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17)
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531n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


Article DOI: 10.1016/s0960-894x(01)00787-9
BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099922
PNG
(5-Methylsulfanyl-4-phenyl-thiophene-2-carboxamidin...)
Show SMILES CSc1sc(cc1-c1ccccc1)C(N)=N
Show InChI InChI=1S/C12H12N2S2/c1-15-12-9(7-10(16-12)11(13)14)8-5-3-2-4-6-8/h2-7H,1H3,(H3,13,14)
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600n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50099903
PNG
(4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulf...)
Show SMILES COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C16H15N3OS3/c1-20-10-5-3-4-9(6-10)12-8-22-15(19-12)11-7-13(14(17)18)23-16(11)21-2/h3-8H,1-2H3,(H3,17,18)
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860n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Trypsin


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50099911
PNG
(4-(4-Benzo[1,3]dioxol-5-yl-thiazol-2-yl)-5-methyls...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc2OCOc2c1)C(N)=N
Show InChI InChI=1S/C16H13N3O2S3/c1-22-16-9(5-13(24-16)14(17)18)15-19-10(6-23-15)8-2-3-11-12(4-8)21-7-20-11/h2-6H,7H2,1H3,(H3,17,18)
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880n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Trypsin


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50099902
PNG
(4-[4-(3-Hydroxy-phenyl)-thiazol-2-yl]-5-methylsulf...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cccc(O)c1)C(N)=N
Show InChI InChI=1S/C15H13N3OS3/c1-20-15-10(6-12(22-15)13(16)17)14-18-11(7-21-14)8-3-2-4-9(19)5-8/h2-7,19H,1H3,(H3,16,17)
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930n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Trypsin


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50099908
PNG
(5-Methylsulfanyl-4-(4-methyl-thiazol-2-yl)-thiophe...)
Show SMILES CSc1sc(cc1-c1nc(C)cs1)C(N)=N
Show InChI InChI=1S/C10H11N3S3/c1-5-4-15-9(13-5)6-3-7(8(11)12)16-10(6)14-2/h3-4H,1-2H3,(H3,11,12)
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1.00E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50109375
PNG
(4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-methanesulf...)
Show SMILES CS(=O)c1sc(cc1-c1nc(cs1)-c1ccc(Cl)cc1)C(N)=N
Show InChI InChI=1S/C15H12ClN3OS3/c1-23(20)15-10(6-12(22-15)13(17)18)14-19-11(7-21-14)8-2-4-9(16)5-3-8/h2-7H,1H3,(H3,17,18)
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1.42E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


Article DOI: 10.1016/s0960-894x(01)00787-9
BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50109373
PNG
(5-(4-Methoxy-benzylsulfanyl)-4-(4-phenyl-thiazol-2...)
Show SMILES COc1ccc(CSc2sc(cc2-c2nc(cs2)-c2ccccc2)C(N)=N)cc1
Show InChI InChI=1S/C22H19N3OS3/c1-26-16-9-7-14(8-10-16)12-28-22-17(11-19(29-22)20(23)24)21-25-18(13-27-21)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H3,23,24)
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1.52E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


Article DOI: 10.1016/s0960-894x(01)00787-9
BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50099902
PNG
(4-[4-(3-Hydroxy-phenyl)-thiazol-2-yl]-5-methylsulf...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cccc(O)c1)C(N)=N
Show InChI InChI=1S/C15H13N3OS3/c1-20-15-10(6-12(22-15)13(16)17)14-18-11(7-21-14)8-3-2-4-9(19)5-8/h2-7,19H,1H3,(H3,16,17)
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1.70E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against tissue plasminogen activator


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50099911
PNG
(4-(4-Benzo[1,3]dioxol-5-yl-thiazol-2-yl)-5-methyls...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc2OCOc2c1)C(N)=N
Show InChI InChI=1S/C16H13N3O2S3/c1-22-16-9(5-13(24-16)14(17)18)15-19-10(6-23-15)8-2-3-11-12(4-8)21-7-20-11/h2-6H,7H2,1H3,(H3,17,18)
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1.70E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against tissue plasminogen activator


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50099903
PNG
(4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulf...)
Show SMILES COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C16H15N3OS3/c1-20-10-5-3-4-9(6-10)12-8-22-15(19-12)11-7-13(14(17)18)23-16(11)21-2/h3-8H,1-2H3,(H3,17,18)
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1.90E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against tissue plasminogen activator


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50109382
PNG
(4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-methanesulf...)
Show SMILES CS(=O)(=O)c1sc(cc1-c1nc(cs1)-c1ccc(Cl)cc1)C(N)=N
Show InChI InChI=1S/C15H12ClN3O2S3/c1-24(20,21)15-10(6-12(23-15)13(17)18)14-19-11(7-22-14)8-2-4-9(16)5-3-8/h2-7H,1H3,(H3,17,18)
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2.50E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


Article DOI: 10.1016/s0960-894x(01)00787-9
BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50109380
PNG
(5-Benzylsulfanyl-4-[4-(4-chloro-phenyl)-thiazol-2-...)
Show SMILES NC(=N)c1cc(c(SCc2ccccc2)s1)-c1nc(cs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClN3S3/c22-15-8-6-14(7-9-15)17-12-26-20(25-17)16-10-18(19(23)24)28-21(16)27-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H3,23,24)
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2.50E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


Article DOI: 10.1016/s0960-894x(01)00787-9
BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50064655
PNG
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCNc1ccncc1
Show InChI InChI=1S/C21H27N5O2/c22-18(15-16-5-2-1-3-6-16)21(28)26-14-4-7-19(26)20(27)25-13-12-24-17-8-10-23-11-9-17/h1-3,5-6,8-11,18-19H,4,7,12-15,22H2,(H,23,24)(H,25,27)/t18-,19+/m1/s1
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4.10E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of thrombin


J Med Chem 41: 2068-75 (1998)


Article DOI: 10.1021/jm970796l
BindingDB Entry DOI: 10.7270/Q269748G
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50109374
PNG
(4-(4-Phenyl-thiazol-2-yl)-thiophene-2-carboxamidin...)
Show SMILES NC(=N)c1cc(cs1)-c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H11N3S2/c15-13(16)12-6-10(7-18-12)14-17-11(8-19-14)9-4-2-1-3-5-9/h1-8H,(H3,15,16)
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5.49E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


Article DOI: 10.1016/s0960-894x(01)00787-9
BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099912
PNG
(5-Methylsulfanyl-thiophene-2-carboxamidine | CHEMB...)
Show SMILES CSc1ccc(s1)C(N)=N
Show InChI InChI=1S/C6H8N2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H3,7,8)
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6.00E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


Article DOI: 10.1016/s0960-894x(01)00787-9
BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099912
PNG
(5-Methylsulfanyl-thiophene-2-carboxamidine | CHEMB...)
Show SMILES CSc1ccc(s1)C(N)=N
Show InChI InChI=1S/C6H8N2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H3,7,8)
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6.00E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50099903
PNG
(4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulf...)
Show SMILES COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C16H15N3OS3/c1-20-10-5-3-4-9(6-10)12-8-22-15(19-12)11-7-13(14(17)18)23-16(11)21-2/h3-8H,1-2H3,(H3,17,18)
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6.90E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against plasmin


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50099911
PNG
(4-(4-Benzo[1,3]dioxol-5-yl-thiazol-2-yl)-5-methyls...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc2OCOc2c1)C(N)=N
Show InChI InChI=1S/C16H13N3O2S3/c1-22-16-9(5-13(24-16)14(17)18)15-19-10(6-23-15)8-2-3-11-12(4-8)21-7-20-11/h2-6H,7H2,1H3,(H3,17,18)
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1.08E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against plasmin


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50099902
PNG
(4-[4-(3-Hydroxy-phenyl)-thiazol-2-yl]-5-methylsulf...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cccc(O)c1)C(N)=N
Show InChI InChI=1S/C15H13N3OS3/c1-20-15-10(6-12(22-15)13(16)17)14-18-11(7-21-14)8-3-2-4-9(19)5-8/h2-7,19H,1H3,(H3,16,17)
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>2.50E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Thrombin (no observable inhibition at this screening concentration)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099906
PNG
(5-Methylsulfanyl-4-(6-phenyl-pyridin-2-yl)-thiophe...)
Show SMILES CSc1sc(cc1-c1cccc(n1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C17H15N3S2/c1-21-17-12(10-15(22-17)16(18)19)14-9-5-8-13(20-14)11-6-3-2-4-7-11/h2-10H,1H3,(H3,18,19)
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>2.80E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50099911
PNG
(4-(4-Benzo[1,3]dioxol-5-yl-thiazol-2-yl)-5-methyls...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc2OCOc2c1)C(N)=N
Show InChI InChI=1S/C16H13N3O2S3/c1-22-16-9(5-13(24-16)14(17)18)15-19-10(6-23-15)8-2-3-11-12(4-8)21-7-20-11/h2-6H,7H2,1H3,(H3,17,18)
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>2.90E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Thrombin (no observable inhibition at this screening concentration)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50099903
PNG
(4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulf...)
Show SMILES COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C16H15N3OS3/c1-20-10-5-3-4-9(6-10)12-8-22-15(19-12)11-7-13(14(17)18)23-16(11)21-2/h3-8H,1-2H3,(H3,17,18)
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>3.00E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Serine protease chymotrypsin (no observable inhibition at this screening concentration)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50099903
PNG
(4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulf...)
Show SMILES COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C16H15N3OS3/c1-20-10-5-3-4-9(6-10)12-8-22-15(19-12)11-7-13(14(17)18)23-16(11)21-2/h3-8H,1-2H3,(H3,17,18)
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>3.00E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Thrombin (no observable inhibition at this screening concentration)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50099902
PNG
(4-[4-(3-Hydroxy-phenyl)-thiazol-2-yl]-5-methylsulf...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cccc(O)c1)C(N)=N
Show InChI InChI=1S/C15H13N3OS3/c1-20-15-10(6-12(22-15)13(16)17)14-18-11(7-21-14)8-3-2-4-9(19)5-8/h2-7,19H,1H3,(H3,16,17)
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>3.10E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Serine protease chymotrypsin (no observable inhibition at this screening concentration)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50099902
PNG
(4-[4-(3-Hydroxy-phenyl)-thiazol-2-yl]-5-methylsulf...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cccc(O)c1)C(N)=N
Show InChI InChI=1S/C15H13N3OS3/c1-20-15-10(6-12(22-15)13(16)17)14-18-11(7-21-14)8-3-2-4-9(19)5-8/h2-7,19H,1H3,(H3,16,17)
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3.21E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against plasmin


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099910
PNG
(4-Biphenyl-3-yl-5-methylsulfanyl-thiophene-2-carbo...)
Show SMILES CSc1sc(cc1-c1cccc(c1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C18H16N2S2/c1-21-18-15(11-16(22-18)17(19)20)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11H,1H3,(H3,19,20)
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>3.40E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099934
PNG
(4-[4-(4-Hydroxy-3-methyl-phenyl)-thiazol-2-yl]-5-m...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(O)c(C)c1)C(N)=N
Show InChI InChI=1S/C16H15N3OS3/c1-8-5-9(3-4-12(8)20)11-7-22-15(19-11)10-6-13(14(17)18)23-16(10)21-2/h3-7,20H,1-2H3,(H3,17,18)
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4.40E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099928
PNG
(CHEMBL28952 | {3-[2-(5-Carbamimidoyl-2-methylsulfa...)
Show SMILES COC(=O)COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C18H17N3O3S3/c1-23-15(22)8-24-11-5-3-4-10(6-11)13-9-26-17(21-13)12-7-14(16(19)20)27-18(12)25-2/h3-7,9H,8H2,1-2H3,(H3,19,20)
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4.40E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099923
PNG
(CHEMBL29037 | N-{3-[2-(5-Carbamimidoyl-2-methylsul...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cccc(NC(=O)c2ccc(F)cc2)c1)C(N)=N
Show InChI InChI=1S/C22H17FN4OS3/c1-29-22-16(10-18(31-22)19(24)25)21-27-17(11-30-21)13-3-2-4-15(9-13)26-20(28)12-5-7-14(23)8-6-12/h2-11H,1H3,(H3,24,25)(H,26,28)
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4.70E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099902
PNG
(4-[4-(3-Hydroxy-phenyl)-thiazol-2-yl]-5-methylsulf...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cccc(O)c1)C(N)=N
Show InChI InChI=1S/C15H13N3OS3/c1-20-15-10(6-12(22-15)13(16)17)14-18-11(7-21-14)8-3-2-4-9(19)5-8/h2-7,19H,1H3,(H3,16,17)
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8.60E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099933
PNG
(5-Methylsulfanyl-4-(4-thiophen-2-yl-thiazol-2-yl)-...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cccs1)C(N)=N
Show InChI InChI=1S/C13H11N3S4/c1-17-13-7(5-10(20-13)11(14)15)12-16-8(6-19-12)9-3-2-4-18-9/h2-6H,1H3,(H3,14,15)
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8.90E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099911
PNG
(4-(4-Benzo[1,3]dioxol-5-yl-thiazol-2-yl)-5-methyls...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc2OCOc2c1)C(N)=N
Show InChI InChI=1S/C16H13N3O2S3/c1-22-16-9(5-13(24-16)14(17)18)15-19-10(6-23-15)8-2-3-11-12(4-8)21-7-20-11/h2-6H,7H2,1H3,(H3,17,18)
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9.10E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099897
PNG
(5-Methylsulfanyl-4-(4-p-tolyl-thiazol-2-yl)-thioph...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(C)cc1)C(N)=N
Show InChI InChI=1S/C16H15N3S3/c1-9-3-5-10(6-4-9)12-8-21-15(19-12)11-7-13(14(17)18)22-16(11)20-2/h3-8H,1-2H3,(H3,17,18)
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9.40E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099901
PNG
(4-[4-(4-Methanesulfonylamino-phenyl)-thiazol-2-yl]...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(NS(C)(=O)=O)cc1)C(N)=N
Show InChI InChI=1S/C16H16N4O2S4/c1-23-16-11(7-13(25-16)14(17)18)15-19-12(8-24-15)9-3-5-10(6-4-9)20-26(2,21)22/h3-8,20H,1-2H3,(H3,17,18)
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9.40E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099900
PNG
(4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-methylsulfa...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(Cl)cc1)C(N)=N
Show InChI InChI=1S/C15H12ClN3S3/c1-20-15-10(6-12(22-15)13(17)18)14-19-11(7-21-14)8-2-4-9(16)5-3-8/h2-7H,1H3,(H3,17,18)
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9.90E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099915
PNG
(4-[4-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-t...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc2OCCCOc2c1)C(N)=N
Show InChI InChI=1S/C18H17N3O2S3/c1-24-18-11(8-15(26-18)16(19)20)17-21-12(9-25-17)10-3-4-13-14(7-10)23-6-2-5-22-13/h3-4,7-9H,2,5-6H2,1H3,(H3,19,20)
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1.00E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099896
PNG
(4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-thiazol-2...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc2OCCOc2c1)C(N)=N
Show InChI InChI=1S/C17H15N3O2S3/c1-23-17-10(7-14(25-17)15(18)19)16-20-11(8-24-16)9-2-3-12-13(6-9)22-5-4-21-12/h2-3,6-8H,4-5H2,1H3,(H3,18,19)
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1.08E+5n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00247-5
BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair
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