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Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'el-sayed' and Initial = 'i'   
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-type plasminogen activator


(Homo sapiens (Human))
BDBM50228427
PNG
((R)-N-[(S)-1-(4-guanidino-benzylcarbamoyl)-ethyl]-...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)N=C(N)N
Show InChI InChI=1S/C21H28N6O5S/c1-14(19(29)24-11-15-7-9-17(10-8-15)26-21(22)23)25-20(30)18(12-28)27-33(31,32)13-16-5-3-2-4-6-16/h2-10,14,18,27-28H,11-13H2,1H3,(H,24,29)(H,25,30)(H4,22,23,26)/t14-,18+/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50228427
PNG
((R)-N-[(S)-1-(4-guanidino-benzylcarbamoyl)-ethyl]-...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)N=C(N)N
Show InChI InChI=1S/C21H28N6O5S/c1-14(19(29)24-11-15-7-9-17(10-8-15)26-21(22)23)25-20(30)18(12-28)27-33(31,32)13-16-5-3-2-4-6-16/h2-10,14,18,27-28H,11-13H2,1H3,(H,24,29)(H,25,30)(H4,22,23,26)/t14-,18+/m0/s1
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>2.50E+3n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human recombinant tPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50228422
PNG
((4-guanidino-benzyl)-carbamic acid benzyl ester | ...)
Show SMILES NC(N)=Nc1ccc(CNC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H18N4O2/c17-15(18)20-14-8-6-12(7-9-14)10-19-16(21)22-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,21)(H4,17,18,20)
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1.60E+4n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50228427
PNG
((R)-N-[(S)-1-(4-guanidino-benzylcarbamoyl)-ethyl]-...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)N=C(N)N
Show InChI InChI=1S/C21H28N6O5S/c1-14(19(29)24-11-15-7-9-17(10-8-15)26-21(22)23)25-20(30)18(12-28)27-33(31,32)13-16-5-3-2-4-6-16/h2-10,14,18,27-28H,11-13H2,1H3,(H,24,29)(H,25,30)(H4,22,23,26)/t14-,18+/m0/s1
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4.00E+4n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasmin


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50228422
PNG
((4-guanidino-benzyl)-carbamic acid benzyl ester | ...)
Show SMILES NC(N)=Nc1ccc(CNC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H18N4O2/c17-15(18)20-14-8-6-12(7-9-14)10-19-16(21)22-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,21)(H4,17,18,20)
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasmin


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50228422
PNG
((4-guanidino-benzyl)-carbamic acid benzyl ester | ...)
Show SMILES NC(N)=Nc1ccc(CNC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H18N4O2/c17-15(18)20-14-8-6-12(7-9-14)10-19-16(21)22-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,21)(H4,17,18,20)
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228422
PNG
((4-guanidino-benzyl)-carbamic acid benzyl ester | ...)
Show SMILES NC(N)=Nc1ccc(CNC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H18N4O2/c17-15(18)20-14-8-6-12(7-9-14)10-19-16(21)22-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,21)(H4,17,18,20)
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50228422
PNG
((4-guanidino-benzyl)-carbamic acid benzyl ester | ...)
Show SMILES NC(N)=Nc1ccc(CNC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H18N4O2/c17-15(18)20-14-8-6-12(7-9-14)10-19-16(21)22-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,21)(H4,17,18,20)
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human recombinant tPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194745
PNG
(CHEMBL385900 | diphenyl 1-[(N-2-thiophenesulfonyl-...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1cccs1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C31H35N6O8PS2/c1-21(34-30(40)26(20-38)37-48(42,43)28-13-8-18-47-28)29(39)36-27(19-22-14-16-23(17-15-22)35-31(32)33)46(41,44-24-9-4-2-5-10-24)45-25-11-6-3-7-12-25/h2-18,21,26-27,37-38H,19-20H2,1H3,(H,34,40)(H,36,39)(H4,32,33,35)/t21-,26+,27?/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194741
PNG
(CHEMBL385158 | diphenyl 1-[(N-benzenesulfonyl-D-se...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccccc1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C33H37N6O8PS/c1-23(36-32(42)29(22-40)39-49(44,45)28-15-9-4-10-16-28)31(41)38-30(21-24-17-19-25(20-18-24)37-33(34)35)48(43,46-26-11-5-2-6-12-26)47-27-13-7-3-8-14-27/h2-20,23,29-30,39-40H,21-22H2,1H3,(H,36,42)(H,38,41)(H4,34,35,37)/t23-,29+,30?/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50228418
PNG
(CHEMBL393591 | methyl 1-(diphenoxyphosphoryl)-2-(4...)
Show SMILES COC(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1/C23H25N4O5P/c1-30-23(28)27-21(16-17-12-14-18(15-13-17)26-22(24)25)33(29,31-19-8-4-2-5-9-19)32-20-10-6-3-7-11-20/h2-15,21H,16H2,1H3,(H,27,28)(H4,24,25,26)
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n/an/a 3.10n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50228412
PNG
(CHEMBL393979 | methyl 1-(bis(4-acetamidophenoxy)ph...)
Show SMILES COC(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1
Show InChI InChI=1/C27H31N6O7P/c1-17(34)30-20-8-12-23(13-9-20)39-41(37,40-24-14-10-21(11-15-24)31-18(2)35)25(33-27(36)38-3)16-19-4-6-22(7-5-19)32-26(28)29/h4-15,25H,16H2,1-3H3,(H,30,34)(H,31,35)(H,33,36)(H4,28,29,32)
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n/an/a 3.40n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50228425
PNG
(CHEMBL239118 | di-(4-acetamidophenyl) 1-(methylsul...)
Show SMILES CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C(Cc2ccc(cc2)N=C(N)N)NS(C)(=O)=O)cc1
Show InChI InChI=1/C26H31N6O7PS/c1-17(33)29-20-8-12-23(13-9-20)38-40(35,39-24-14-10-21(11-15-24)30-18(2)34)25(32-41(3,36)37)16-19-4-6-22(7-5-19)31-26(27)28/h4-15,25,32H,16H2,1-3H3,(H,29,33)(H,30,34)(H4,27,28,31)
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n/an/a 3.5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194743
PNG
(CHEMBL214814 | diphenyl 1-[(N-alpha-toluenesulfony...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C34H39N6O8PS/c1-24(37-33(43)30(22-41)40-50(45,46)23-26-11-5-2-6-12-26)32(42)39-31(21-25-17-19-27(20-18-25)38-34(35)36)49(44,47-28-13-7-3-8-14-28)48-29-15-9-4-10-16-29/h2-20,24,30-31,40-41H,21-23H2,1H3,(H,37,43)(H,39,42)(H4,35,36,38)/t24-,30+,31?/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194743
PNG
(CHEMBL214814 | diphenyl 1-[(N-alpha-toluenesulfony...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C34H39N6O8PS/c1-24(37-33(43)30(22-41)40-50(45,46)23-26-11-5-2-6-12-26)32(42)39-31(21-25-17-19-27(20-18-25)38-34(35)36)49(44,47-28-13-7-3-8-14-28)48-29-15-9-4-10-16-29/h2-20,24,30-31,40-41H,21-23H2,1H3,(H,37,43)(H,39,42)(H4,35,36,38)/t24-,30+,31?/m0/s1
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n/an/a 4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50228420
PNG
(CHEMBL391968 | di-(4-acetamidophenyl) 1-(benzyloxy...)
Show SMILES CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C(Cc2ccc(cc2)N=C(N)N)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1/C33H35N6O7P/c1-22(40)36-26-12-16-29(17-13-26)45-47(43,46-30-18-14-27(15-19-30)37-23(2)41)31(20-24-8-10-28(11-9-24)38-32(34)35)39-33(42)44-21-25-6-4-3-5-7-25/h3-19,31H,20-21H2,1-2H3,(H,36,40)(H,37,41)(H,39,42)(H4,34,35,38)
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n/an/a 4.20n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50145689
PNG
(CHEMBL80844 | [1-[(S)-2-((R)-2-Benzyloxycarbonylam...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C35H39N6O8P/c1-24(38-33(44)30(22-42)40-35(45)47-23-26-11-5-2-6-12-26)32(43)41-31(21-25-17-19-27(20-18-25)39-34(36)37)50(46,48-28-13-7-3-8-14-28)49-29-15-9-4-10-16-29/h2-20,24,30-31,42H,21-23H2,1H3,(H,38,44)(H,40,45)(H,41,43)(H4,36,37,39)/t24-,30+,31?/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194737
PNG
(CHEMBL384263 | diphenyl 1-[(N-o-methylbenzoyl-D-se...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NC(=O)c1cccc(C)c1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C35H39N6O7P/c1-23-10-9-11-26(20-23)33(44)40-30(22-42)34(45)38-24(2)32(43)41-31(21-25-16-18-27(19-17-25)39-35(36)37)49(46,47-28-12-5-3-6-13-28)48-29-14-7-4-8-15-29/h3-20,24,30-31,42H,21-22H2,1-2H3,(H,38,45)(H,40,44)(H,41,43)(H4,36,37,39)/t24-,30+,31?/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194742
PNG
(CHEMBL263977 | diphenyl 1-[(N-benzyl-D-seryl)-L-al...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NC(=O)c1ccccc1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C34H37N6O7P/c1-23(37-33(44)29(22-41)39-32(43)25-11-5-2-6-12-25)31(42)40-30(21-24-17-19-26(20-18-24)38-34(35)36)48(45,46-27-13-7-3-8-14-27)47-28-15-9-4-10-16-28/h2-20,23,29-30,41H,21-22H2,1H3,(H,37,44)(H,39,43)(H,40,42)(H4,35,36,38)/t23-,29+,30?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194746
PNG
(CHEMBL405546 | diphenyl 1-[(N-o-methylbenzoyl-D-se...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NC(=O)c1ccccc1C)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C35H39N6O7P/c1-23-11-9-10-16-29(23)33(44)40-30(22-42)34(45)38-24(2)32(43)41-31(21-25-17-19-26(20-18-25)39-35(36)37)49(46,47-27-12-5-3-6-13-27)48-28-14-7-4-8-15-28/h3-20,24,30-31,42H,21-22H2,1-2H3,(H,38,45)(H,40,44)(H,41,43)(H4,36,37,39)/t24-,30+,31?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194734
PNG
(CHEMBL386275 | diphenyl 1-[(N-p-methoxybenzenesulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C34H39N6O9PS/c1-23(37-33(43)30(22-41)40-51(45,46)29-19-17-26(47-2)18-20-29)32(42)39-31(21-24-13-15-25(16-14-24)38-34(35)36)50(44,48-27-9-5-3-6-10-27)49-28-11-7-4-8-12-28/h3-20,23,30-31,40-41H,21-22H2,1-2H3,(H,37,43)(H,39,42)(H4,35,36,38)/t23-,30+,31?/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194744
PNG
(CHEMBL385897 | diphenyl 1-[(N-naphthalenesulfonyl-...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1cccc2ccccc12)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C37H39N6O8PS/c1-25(40-36(46)32(24-44)43-53(48,49)33-18-10-12-27-11-8-9-17-31(27)33)35(45)42-34(23-26-19-21-28(22-20-26)41-37(38)39)52(47,50-29-13-4-2-5-14-29)51-30-15-6-3-7-16-30/h2-22,25,32,34,43-44H,23-24H2,1H3,(H,40,46)(H,42,45)(H4,38,39,41)/t25-,32+,34?/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194736
PNG
(CHEMBL189823 | diphenyl 1-[(N-o,o-dimethylbenzoyl-...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NC(=O)c1c(C)cccc1C)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C36H41N6O7P/c1-23-11-10-12-24(2)32(23)35(46)41-30(22-43)34(45)39-25(3)33(44)42-31(21-26-17-19-27(20-18-26)40-36(37)38)50(47,48-28-13-6-4-7-14-28)49-29-15-8-5-9-16-29/h4-20,25,30-31,43H,21-22H2,1-3H3,(H,39,45)(H,41,46)(H,42,44)(H4,37,38,40)/t25-,30+,31?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194735
PNG
(CHEMBL215961 | diphenyl 1-[(N-p-cyanobenzenesulfon...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(cc1)C#N)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C34H36N7O8PS/c1-23(38-33(44)30(22-42)41-51(46,47)29-18-14-25(21-35)15-19-29)32(43)40-31(20-24-12-16-26(17-13-24)39-34(36)37)50(45,48-27-8-4-2-5-9-27)49-28-10-6-3-7-11-28/h2-19,23,30-31,41-42H,20,22H2,1H3,(H,38,44)(H,40,43)(H4,36,37,39)/t23-,30+,31?/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194738
PNG
(CHEMBL386249 | diphenyl 1-[(N-p-bromobenzenesulfon...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C33H36BrN6O8PS/c1-22(37-32(43)29(21-41)40-50(45,46)28-18-14-24(34)15-19-28)31(42)39-30(20-23-12-16-25(17-13-23)38-33(35)36)49(44,47-26-8-4-2-5-9-26)48-27-10-6-3-7-11-27/h2-19,22,29-30,40-41H,20-21H2,1H3,(H,37,43)(H,39,42)(H4,35,36,38)/t22-,29+,30?/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50228421
PNG
(CHEMBL238493 | diphenyl 1-(methylsulfonylamino)-2-...)
Show SMILES CS(=O)(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1/C22H25N4O5PS/c1-33(28,29)26-21(16-17-12-14-18(15-13-17)25-22(23)24)32(27,30-19-8-4-2-5-9-19)31-20-10-6-3-7-11-20/h2-15,21,26H,16H2,1H3,(H4,23,24,25)
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n/an/a 6.60n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194732
PNG
(CHEMBL214539 | di-(4-acetamidophenyl) 1-[(N-benzyl...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C39H45N8O10P/c1-24(42-37(52)34(22-48)46-39(53)55-23-28-7-5-4-6-8-28)36(51)47-35(21-27-9-11-31(12-10-27)45-38(40)41)58(54,56-32-17-13-29(14-18-32)43-25(2)49)57-33-19-15-30(16-20-33)44-26(3)50/h4-20,24,34-35,48H,21-23H2,1-3H3,(H,42,52)(H,43,49)(H,44,50)(H,46,53)(H,47,51)(H4,40,41,45)/t24-,34+,35?/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotin-linked K-ras decapeptide (CVIM) by bovine farnesyltransferase


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194739
PNG
(CHEMBL213216 | diphenyl 1-[(N-2-thienyl-D-seryl)-L...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NC(=O)c1cccs1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C32H35N6O7PS/c1-21(35-30(41)26(20-39)37-31(42)27-13-8-18-47-27)29(40)38-28(19-22-14-16-23(17-15-22)36-32(33)34)46(43,44-24-9-4-2-5-10-24)45-25-11-6-3-7-12-25/h2-18,21,26,28,39H,19-20H2,1H3,(H,35,41)(H,37,42)(H,38,40)(H4,33,34,36)/t21-,26+,28?/m0/s1
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n/an/a 6.90n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50228410
PNG
(CHEMBL239535 | diphenyl 1-(benzyloxycarbonylamino)...)
Show SMILES NC(N)=Nc1ccc(CC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
Show InChI InChI=1/C29H29N4O5P/c30-28(31)32-24-18-16-22(17-19-24)20-27(33-29(34)36-21-23-10-4-1-5-11-23)39(35,37-25-12-6-2-7-13-25)38-26-14-8-3-9-15-26/h1-19,27H,20-21H2,(H,33,34)(H4,30,31,32)
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n/an/a 7n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194740
PNG
(CHEMBL404226 | diphenyl 1-[(N-p-methylbenzoyl-D-se...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NC(=O)c1ccc(C)cc1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C35H39N6O7P/c1-23-13-17-26(18-14-23)33(44)40-30(22-42)34(45)38-24(2)32(43)41-31(21-25-15-19-27(20-16-25)39-35(36)37)49(46,47-28-9-5-3-6-10-28)48-29-11-7-4-8-12-29/h3-20,24,30-31,42H,21-22H2,1-2H3,(H,38,45)(H,40,44)(H,41,43)(H4,36,37,39)/t24-,30+,31?/m0/s1
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n/an/a 7n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50228414
PNG
(CHEMBL239747 | diphenyl 1-acetamido-2-(4-guanidino...)
Show SMILES CC(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1/C23H25N4O4P/c1-17(28)26-22(16-18-12-14-19(15-13-18)27-23(24)25)32(29,30-20-8-4-2-5-9-20)31-21-10-6-3-7-11-21/h2-15,22H,16H2,1H3,(H,26,28)(H4,24,25,27)
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n/an/a 7.20n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50228417
PNG
(CHEMBL238491 | diphenyl 1-(o-toluenesulfonylamino)...)
Show SMILES NC(N)=Nc1ccc(CC(NS(=O)(=O)Cc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
Show InChI InChI=1/C28H29N4O5PS/c29-28(30)31-24-18-16-22(17-19-24)20-27(32-39(34,35)21-23-10-4-1-5-11-23)38(33,36-25-12-6-2-7-13-25)37-26-14-8-3-9-15-26/h1-19,27,32H,20-21H2,(H4,29,30,31)
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n/an/a 7.70n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50228423
PNG
(CHEMBL239536 | ethyl 1-(diphenoxyphosphoryl)-2-(4-...)
Show SMILES CCOC(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1/C24H27N4O5P/c1-2-31-24(29)28-22(17-18-13-15-19(16-14-18)27-23(25)26)34(30,32-20-9-5-3-6-10-20)33-21-11-7-4-8-12-21/h3-16,22H,2,17H2,1H3,(H,28,29)(H4,25,26,27)
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n/an/a 8n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator (uPA)


(Mus musculus (Mouse))
BDBM50228412
PNG
(CHEMBL393979 | methyl 1-(bis(4-acetamidophenoxy)ph...)
Show SMILES COC(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1
Show InChI InChI=1/C27H31N6O7P/c1-17(34)30-20-8-12-23(13-9-20)39-41(37,40-24-14-10-21(11-15-24)31-18(2)35)25(33-27(36)38-3)16-19-4-6-22(7-5-19)32-26(28)29/h4-15,25H,16H2,1-3H3,(H,30,34)(H,31,35)(H,33,36)(H4,28,29,32)
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n/an/a 8n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194733
PNG
(CHEMBL411215 | diphenyl 1-[(N-1-adamantanyl-D-sery...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC(Cc1ccc(NC(N)=N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C38H47N6O7P/c1-23(41-36(47)32(22-45)43-37(48)34-27-17-25-16-26(19-27)20-28(34)18-25)35(46)44-33(21-24-12-14-29(15-13-24)42-38(39)40)52(49,50-30-8-4-2-5-9-30)51-31-10-6-3-7-11-31/h2-15,23,25-28,32-34,45H,16-22H2,1H3,(H,41,47)(H,43,48)(H,44,46)(H4,39,40,42)/t23-,25?,26?,27?,28?,32+,33?,34?/m0/s1
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n/an/a 8n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Rattus norvegicus)
BDBM50228418
PNG
(CHEMBL393591 | methyl 1-(diphenoxyphosphoryl)-2-(4...)
Show SMILES COC(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1/C23H25N4O5P/c1-30-23(28)27-21(16-17-12-14-18(15-13-17)26-22(24)25)33(29,31-19-8-4-2-5-9-19)32-20-10-6-3-7-11-20/h2-15,21H,16H2,1H3,(H,27,28)(H4,24,25,26)
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n/an/a 19.5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of rat uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Rattus norvegicus)
BDBM50228412
PNG
(CHEMBL393979 | methyl 1-(bis(4-acetamidophenoxy)ph...)
Show SMILES COC(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1
Show InChI InChI=1/C27H31N6O7P/c1-17(34)30-20-8-12-23(13-9-20)39-41(37,40-24-14-10-21(11-15-24)31-18(2)35)25(33-27(36)38-3)16-19-4-6-22(7-5-19)32-26(28)29/h4-15,25H,16H2,1-3H3,(H,30,34)(H,31,35)(H,33,36)(H4,28,29,32)
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n/an/a 24.5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of rat uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50228426
PNG
(CHEMBL391344 | diphenyl 1-(naphthalenesulfonylamin...)
Show SMILES NC(N)=Nc1ccc(CC(NS(=O)(=O)c2cccc3ccccc23)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
Show InChI InChI=1/C31H29N4O5PS/c32-31(33)34-25-20-18-23(19-21-25)22-30(35-42(37,38)29-17-9-11-24-10-7-8-16-28(24)29)41(36,39-26-12-3-1-4-13-26)40-27-14-5-2-6-15-27/h1-21,30,35H,22H2,(H4,32,33,34)
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n/an/a 26.5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator (uPA)


(Mus musculus (Mouse))
BDBM50228418
PNG
(CHEMBL393591 | methyl 1-(diphenoxyphosphoryl)-2-(4...)
Show SMILES COC(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1/C23H25N4O5P/c1-30-23(28)27-21(16-17-12-14-18(15-13-17)26-22(24)25)33(29,31-19-8-4-2-5-9-19)32-20-10-6-3-7-11-20/h2-15,21H,16H2,1H3,(H,27,28)(H4,24,25,26)
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n/an/a 32n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50194743
PNG
(CHEMBL214814 | diphenyl 1-[(N-alpha-toluenesulfony...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C34H39N6O8PS/c1-24(37-33(43)30(22-41)40-50(45,46)23-26-11-5-2-6-12-26)32(42)39-31(21-25-17-19-27(20-18-25)38-34(35)36)49(44,47-28-13-7-3-8-14-28)48-29-15-9-4-10-16-29/h2-20,24,30-31,40-41H,21-23H2,1H3,(H,37,43)(H,39,42)(H4,35,36,38)/t24-,30+,31?/m0/s1
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n/an/a 37n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasmin


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50194743
PNG
(CHEMBL214814 | diphenyl 1-[(N-alpha-toluenesulfony...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C34H39N6O8PS/c1-24(37-33(43)30(22-41)40-50(45,46)23-26-11-5-2-6-12-26)32(42)39-31(21-25-17-19-27(20-18-25)38-34(35)36)49(44,47-28-13-7-3-8-14-28)48-29-15-9-4-10-16-29/h2-20,24,30-31,40-41H,21-23H2,1H3,(H,37,43)(H,39,42)(H4,35,36,38)/t24-,30+,31?/m0/s1
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n/an/a 37n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasmin


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50145688
PNG
(CHEMBL311067 | benzyl (R)-1-((S)-1-(1-(diphenoxyph...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)NC(CCCNC(N)=N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C31H39N6O8P/c1-22(35-29(40)26(20-38)36-31(41)43-21-23-12-5-2-6-13-23)28(39)37-27(18-11-19-34-30(32)33)46(42,44-24-14-7-3-8-15-24)45-25-16-9-4-10-17-25/h2-10,12-17,22,26-27,38H,11,18-21H2,1H3,(H,35,40)(H,36,41)(H,37,39)(H4,32,33,34)/t22-,26+,27?/m0/s1
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n/an/a 61n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50228413
PNG
(CHEMBL238708 | [1-Benzyloxycarbonylamino-2-(4-carb...)
Show SMILES NC(=N)c1ccc(CC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
Show InChI InChI=1/C29H28N3O5P/c30-28(31)24-18-16-22(17-19-24)20-27(32-29(33)35-21-23-10-4-1-5-11-23)38(34,36-25-12-6-2-7-13-25)37-26-14-8-3-9-15-26/h1-19,27H,20-21H2,(H3,30,31)(H,32,33)
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n/an/a 67n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50228424
PNG
(CHEMBL393592 | diphenyl 1-(benzoylamino)-2-(4-guan...)
Show SMILES NC(N)=Nc1ccc(CC(NC(=O)c2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
Show InChI InChI=1/C28H27N4O4P/c29-28(30)31-23-18-16-21(17-19-23)20-26(32-27(33)22-10-4-1-5-11-22)37(34,35-24-12-6-2-7-13-24)36-25-14-8-3-9-15-25/h1-19,26H,20H2,(H,32,33)(H4,29,30,31)
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n/an/a 114n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50228411
PNG
(CHEMBL391916 | diphenyl 1-(2,3,6-tri-isopropylbenz...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1/C36H45N4O5PS/c1-24(2)28-22-32(25(3)4)35(33(23-28)26(5)6)47(42,43)40-34(21-27-17-19-29(20-18-27)39-36(37)38)46(41,44-30-13-9-7-10-14-30)45-31-15-11-8-12-16-31/h7-20,22-26,34,40H,21H2,1-6H3,(H4,37,38,39)
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n/an/a 260n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50194743
PNG
(CHEMBL214814 | diphenyl 1-[(N-alpha-toluenesulfony...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C34H39N6O8PS/c1-24(37-33(43)30(22-41)40-50(45,46)23-26-11-5-2-6-12-26)32(42)39-31(21-25-17-19-27(20-18-25)38-34(35)36)49(44,47-28-13-7-3-8-14-28)48-29-15-9-4-10-16-29/h2-20,24,30-31,40-41H,21-23H2,1H3,(H,37,43)(H,39,42)(H4,35,36,38)/t24-,30+,31?/m0/s1
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n/an/a 280n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant tPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50194743
PNG
(CHEMBL214814 | diphenyl 1-[(N-alpha-toluenesulfony...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C34H39N6O8PS/c1-24(37-33(43)30(22-41)40-50(45,46)23-26-11-5-2-6-12-26)32(42)39-31(21-25-17-19-27(20-18-25)38-34(35)36)49(44,47-28-13-7-3-8-14-28)48-29-15-9-4-10-16-29/h2-20,24,30-31,40-41H,21-23H2,1H3,(H,37,43)(H,39,42)(H4,35,36,38)/t24-,30+,31?/m0/s1
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n/an/a 280n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human recombinant tPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50228415
PNG
(CHEMBL238707 | [Benzyloxycarbonylamino-(4-carbamim...)
Show SMILES NC(=N)c1ccc(cc1)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1/C28H26N3O5P/c29-26(30)22-16-18-23(19-17-22)27(31-28(32)34-20-21-10-4-1-5-11-21)37(33,35-24-12-6-2-7-13-24)36-25-14-8-3-9-15-25/h1-19,27H,20H2,(H3,29,30)(H,31,32)
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n/an/a 288n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50228420
PNG
(CHEMBL391968 | di-(4-acetamidophenyl) 1-(benzyloxy...)
Show SMILES CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C(Cc2ccc(cc2)N=C(N)N)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1/C33H35N6O7P/c1-22(40)36-26-12-16-29(17-13-26)45-47(43,46-30-18-14-27(15-19-30)37-23(2)41)31(20-24-8-10-28(11-9-24)38-32(34)35)39-33(42)44-21-25-6-4-3-5-7-25/h3-19,31H,20-21H2,1-2H3,(H,36,40)(H,37,41)(H,39,42)(H4,34,35,38)
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n/an/a 390n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194732
PNG
(CHEMBL214539 | di-(4-acetamidophenyl) 1-[(N-benzyl...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C39H45N8O10P/c1-24(42-37(52)34(22-48)46-39(53)55-23-28-7-5-4-6-8-28)36(51)47-35(21-27-9-11-31(12-10-27)45-38(40)41)58(54,56-32-17-13-29(14-18-32)43-25(2)49)57-33-19-15-30(16-20-33)44-26(3)50/h4-20,24,34-35,48H,21-23H2,1-3H3,(H,42,52)(H,43,49)(H,44,50)(H,46,53)(H,47,51)(H4,40,41,45)/t24-,34+,35?/m0/s1
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n/an/a 410n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
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