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PubMed code 12039583

Compile data set for download or QSAR
Found 140 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
Coagulation factor X


(Homo sapiens (human))
BDBM12751
PNG
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
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PubMed
0.0130n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested for binding affinity against human Coagulation factor Xa (trypsin-like serine protease)


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114434
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1F
Show InChI InChI=1S/C27H21FN4O3S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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5.70n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Coagulation factor Xa (trypsin-like serine protease) of the compound


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM12751
PNG
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
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16n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested for the binding affinity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM12751
PNG
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
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300n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested for the binding affinity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114453
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-trifluoromethyl-2H-...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccc3cc(Cl)ccc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H18ClF3N4O3S/c28-19-9-5-18-14-21(12-8-17(18)13-19)35-23(15-25(34-35)27(29,30)31)26(36)33-20-10-6-16(7-11-20)22-3-1-2-4-24(22)39(32,37)38/h1-15H,(H,33,36)(H2,32,37,38)
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n/an/a 4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114435
PNG
(2-(3-Cyano-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C#N
Show InChI InChI=1S/C28H21N5O3S/c1-18-14-26(33(32-18)25-16-21-7-3-2-6-20(21)15-22(25)17-29)28(34)31-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(30,35)36/h2-16H,1H3,(H,31,34)(H2,30,35,36)
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n/an/a 6n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114434
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1F
Show InChI InChI=1S/C27H21FN4O3S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a 9n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114436
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C27H21ClN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a 11n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114439
PNG
(2-(6-Bromo-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C27H21BrN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a 18n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114450
PNG
(2-(3-Carbamimidoyl-naphthalen-2-yl)-5-methyl-2H-py...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=N
Show InChI InChI=1S/C28H24N6O3S/c1-17-14-25(34(33-17)24-16-20-7-3-2-6-19(20)15-23(24)27(29)30)28(35)32-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(31,36)37/h2-16H,1H3,(H3,29,30)(H,32,35)(H2,31,36,37)
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n/an/a 21n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114443
PNG
(5-Methyl-2-(3-sulfamoyl-naphthalen-2-yl)-2H-pyrazo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(N)(=O)=O
Show InChI InChI=1S/C27H23N5O5S2/c1-17-14-24(32(31-17)23-15-19-6-2-3-7-20(19)16-26(23)39(29,36)37)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-25(22)38(28,34)35/h2-16H,1H3,(H,30,33)(H2,28,34,35)(H2,29,36,37)
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n/an/a 24n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114437
PNG
(2-(3-Carbamoyl-naphthalen-2-yl)-5-methyl-2H-pyrazo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=O
Show InChI InChI=1S/C28H23N5O4S/c1-17-14-25(33(32-17)24-16-20-7-3-2-6-19(20)15-23(24)27(29)34)28(35)31-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(30,36)37/h2-16H,1H3,(H2,29,34)(H,31,35)(H2,30,36,37)
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n/an/a 24n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114451
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-trifluoromethyl-2H-...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cc3ccccc3cc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C27H18F4N4O3S/c28-21-13-17-5-1-2-6-18(17)14-22(21)35-23(15-25(34-35)27(29,30)31)26(36)33-19-11-9-16(10-12-19)20-7-3-4-8-24(20)39(32,37)38/h1-15H,(H,33,36)(H2,32,37,38)
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n/an/a 27n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114444
PNG
(2-(3-Aminomethyl-naphthalen-2-yl)-5-methyl-2H-pyra...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CN
Show InChI InChI=1S/C28H25N5O3S/c1-18-14-26(33(32-18)25-16-21-7-3-2-6-20(21)15-22(25)17-29)28(34)31-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(30,35)36/h2-16H,17,29H2,1H3,(H,31,34)(H2,30,35,36)
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n/an/a 38n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114433
PNG
(2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
Show InChI InChI=1S/C28H24N4O5S2/c1-18-15-25(32(31-18)24-16-20-7-3-4-8-21(20)17-27(24)38(2,34)35)28(33)30-22-13-11-19(12-14-22)23-9-5-6-10-26(23)39(29,36)37/h3-17H,1-2H3,(H,30,33)(H2,29,36,37)
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n/an/a 45n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114446
PNG
(5-Methyl-2-naphthalen-2-yl-2H-pyrazole-3-carboxyli...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N4O3S/c1-18-16-25(31(30-18)23-15-12-19-6-2-3-7-21(19)17-23)27(32)29-22-13-10-20(11-14-22)24-8-4-5-9-26(24)35(28,33)34/h2-17H,1H3,(H,29,32)(H2,28,33,34)
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n/an/a 104n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114438
PNG
(2-(3-Bromo-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1Br
Show InChI InChI=1S/C27H21BrN4O3S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a 143n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114447
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C28H22N4O5S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28(34)35)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(29,36)37/h2-16H,1H3,(H,30,33)(H,34,35)(H2,29,36,37)
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n/an/a 376n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114432
PNG
(2-(3-Hydroxymethyl-naphthalen-2-yl)-5-methyl-2H-py...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CO
Show InChI InChI=1S/C28H24N4O4S/c1-18-14-26(32(31-18)25-16-21-7-3-2-6-20(21)15-22(25)17-33)28(34)30-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(29,35)36/h2-16,33H,17H2,1H3,(H,30,34)(H2,29,35,36)
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n/an/a 483n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114449
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES COC(=O)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C29H24N4O5S/c1-18-15-26(33(32-18)25-17-21-8-4-3-7-20(21)16-24(25)29(35)38-2)28(34)31-22-13-11-19(12-14-22)23-9-5-6-10-27(23)39(30,36)37/h3-17H,1-2H3,(H,31,34)(H2,30,36,37)
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n/an/a 545n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114452
PNG
(2-[3-(N,N-Dimethyl-carbamimidoyl)-naphthalen-2-yl]...)
Show SMILES CN(C)C(=N)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C30H28N6O3S/c1-19-16-27(36(34-19)26-18-22-9-5-4-8-21(22)17-25(26)29(31)35(2)3)30(37)33-23-14-12-20(13-15-23)24-10-6-7-11-28(24)40(32,38)39/h4-18,31H,1-3H3,(H,33,37)(H2,32,38,39)
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n/an/a 1.65E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114441
PNG
(2-(6-Methoxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES COc1ccc2cc(ccc2c1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C28H24N4O4S/c1-18-15-26(32(31-18)23-13-9-21-17-24(36-2)14-10-20(21)16-23)28(33)30-22-11-7-19(8-12-22)25-5-3-4-6-27(25)37(29,34)35/h3-17H,1-2H3,(H,30,33)(H2,29,34,35)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114445
PNG
(2-(6-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-25(31(30-17)22-12-8-20-16-23(32)13-9-19(20)15-22)27(33)29-21-10-6-18(7-11-21)24-4-2-3-5-26(24)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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n/an/a 3.51E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114448
PNG
(2-[3-(4,5-Dihydro-1H-imidazol-2-yl)-naphthalen-2-y...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C1=NCCN1
Show InChI InChI=1S/C30H26N6O3S/c1-19-16-27(30(37)34-23-12-10-20(11-13-23)24-8-4-5-9-28(24)40(31,38)39)36(35-19)26-18-22-7-3-2-6-21(22)17-25(26)29-32-14-15-33-29/h2-13,16-18H,14-15H2,1H3,(H,32,33)(H,34,37)(H2,31,38,39)
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n/an/a 7.82E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114448
PNG
(2-[3-(4,5-Dihydro-1H-imidazol-2-yl)-naphthalen-2-y...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C1=NCCN1
Show InChI InChI=1S/C30H26N6O3S/c1-19-16-27(30(37)34-23-12-10-20(11-13-23)24-8-4-5-9-28(24)40(31,38)39)36(35-19)26-18-22-7-3-2-6-21(22)17-25(26)29-32-14-15-33-29/h2-13,16-18H,14-15H2,1H3,(H,32,33)(H,34,37)(H2,31,38,39)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114447
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C28H22N4O5S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28(34)35)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(29,36)37/h2-16H,1H3,(H,30,33)(H,34,35)(H2,29,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114435
PNG
(2-(3-Cyano-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C#N
Show InChI InChI=1S/C28H21N5O3S/c1-18-14-26(33(32-18)25-16-21-7-3-2-6-20(21)15-22(25)17-29)28(34)31-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(30,35)36/h2-16H,1H3,(H,31,34)(H2,30,35,36)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114434
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1F
Show InChI InChI=1S/C27H21FN4O3S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114436
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C27H21ClN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114446
PNG
(5-Methyl-2-naphthalen-2-yl-2H-pyrazole-3-carboxyli...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N4O3S/c1-18-16-25(31(30-18)23-15-12-19-6-2-3-7-21(19)17-23)27(32)29-22-13-10-20(11-14-22)24-8-4-5-9-26(24)35(28,33)34/h2-17H,1H3,(H,29,32)(H2,28,33,34)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114447
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C28H22N4O5S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28(34)35)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(29,36)37/h2-16H,1H3,(H,30,33)(H,34,35)(H2,29,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114448
PNG
(2-[3-(4,5-Dihydro-1H-imidazol-2-yl)-naphthalen-2-y...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C1=NCCN1
Show InChI InChI=1S/C30H26N6O3S/c1-19-16-27(30(37)34-23-12-10-20(11-13-23)24-8-4-5-9-28(24)40(31,38)39)36(35-19)26-18-22-7-3-2-6-21(22)17-25(26)29-32-14-15-33-29/h2-13,16-18H,14-15H2,1H3,(H,32,33)(H,34,37)(H2,31,38,39)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114436
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C27H21ClN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114450
PNG
(2-(3-Carbamimidoyl-naphthalen-2-yl)-5-methyl-2H-py...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=N
Show InChI InChI=1S/C28H24N6O3S/c1-17-14-25(34(33-17)24-16-20-7-3-2-6-19(20)15-23(24)27(29)30)28(35)32-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(31,36)37/h2-16H,1H3,(H3,29,30)(H,32,35)(H2,31,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114442
PNG
(2-(3-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1O
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-24(31(30-17)23-15-19-6-2-3-7-20(19)16-25(23)32)27(33)29-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114434
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1F
Show InChI InChI=1S/C27H21FN4O3S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114447
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C28H22N4O5S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28(34)35)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(29,36)37/h2-16H,1H3,(H,30,33)(H,34,35)(H2,29,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114444
PNG
(2-(3-Aminomethyl-naphthalen-2-yl)-5-methyl-2H-pyra...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CN
Show InChI InChI=1S/C28H25N5O3S/c1-18-14-26(33(32-18)25-16-21-7-3-2-6-20(21)15-22(25)17-29)28(34)31-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(30,35)36/h2-16H,17,29H2,1H3,(H,31,34)(H2,30,35,36)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114445
PNG
(2-(6-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-25(31(30-17)22-12-8-20-16-23(32)13-9-19(20)15-22)27(33)29-21-10-6-18(7-11-21)24-4-2-3-5-26(24)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114442
PNG
(2-(3-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1O
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-24(31(30-17)23-15-19-6-2-3-7-20(19)16-25(23)32)27(33)29-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114450
PNG
(2-(3-Carbamimidoyl-naphthalen-2-yl)-5-methyl-2H-py...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=N
Show InChI InChI=1S/C28H24N6O3S/c1-17-14-25(34(33-17)24-16-20-7-3-2-6-19(20)15-23(24)27(29)30)28(35)32-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(31,36)37/h2-16H,1H3,(H3,29,30)(H,32,35)(H2,31,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114439
PNG
(2-(6-Bromo-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C27H21BrN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114439
PNG
(2-(6-Bromo-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C27H21BrN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114435
PNG
(2-(3-Cyano-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C#N
Show InChI InChI=1S/C28H21N5O3S/c1-18-14-26(33(32-18)25-16-21-7-3-2-6-20(21)15-22(25)17-29)28(34)31-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(30,35)36/h2-16H,1H3,(H,31,34)(H2,30,35,36)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114452
PNG
(2-[3-(N,N-Dimethyl-carbamimidoyl)-naphthalen-2-yl]...)
Show SMILES CN(C)C(=N)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C30H28N6O3S/c1-19-16-27(36(34-19)26-18-22-9-5-4-8-21(22)17-25(26)29(31)35(2)3)30(37)33-23-14-12-20(13-15-23)24-10-6-7-11-28(24)40(32,38)39/h4-18,31H,1-3H3,(H,33,37)(H2,32,38,39)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114445
PNG
(2-(6-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-25(31(30-17)22-12-8-20-16-23(32)13-9-19(20)15-22)27(33)29-21-10-6-18(7-11-21)24-4-2-3-5-26(24)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114448
PNG
(2-[3-(4,5-Dihydro-1H-imidazol-2-yl)-naphthalen-2-y...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C1=NCCN1
Show InChI InChI=1S/C30H26N6O3S/c1-19-16-27(30(37)34-23-12-10-20(11-13-23)24-8-4-5-9-28(24)40(31,38)39)36(35-19)26-18-22-7-3-2-6-21(22)17-25(26)29-32-14-15-33-29/h2-13,16-18H,14-15H2,1H3,(H,32,33)(H,34,37)(H2,31,38,39)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114438
PNG
(2-(3-Bromo-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1Br
Show InChI InChI=1S/C27H21BrN4O3S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114444
PNG
(2-(3-Aminomethyl-naphthalen-2-yl)-5-methyl-2H-pyra...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CN
Show InChI InChI=1S/C28H25N5O3S/c1-18-14-26(33(32-18)25-16-21-7-3-2-6-20(21)15-22(25)17-29)28(34)31-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(30,35)36/h2-16H,17,29H2,1H3,(H,31,34)(H2,30,35,36)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114447
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C28H22N4O5S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28(34)35)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(29,36)37/h2-16H,1H3,(H,30,33)(H,34,35)(H2,29,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114441
PNG
(2-(6-Methoxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES COc1ccc2cc(ccc2c1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C28H24N4O4S/c1-18-15-26(32(31-18)23-13-9-21-17-24(36-2)14-10-20(21)16-23)28(33)30-22-11-7-19(8-12-22)25-5-3-4-6-27(25)37(29,34)35/h3-17H,1-2H3,(H,30,33)(H2,29,34,35)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114449
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES COC(=O)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C29H24N4O5S/c1-18-15-26(33(32-18)25-17-21-8-4-3-7-20(21)16-24(25)29(35)38-2)28(34)31-22-13-11-19(12-14-22)23-9-5-6-10-27(23)39(30,36)37/h3-17H,1-2H3,(H,31,34)(H2,30,36,37)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114432
PNG
(2-(3-Hydroxymethyl-naphthalen-2-yl)-5-methyl-2H-py...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CO
Show InChI InChI=1S/C28H24N4O4S/c1-18-14-26(32(31-18)25-16-21-7-3-2-6-20(21)15-22(25)17-33)28(34)30-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(29,35)36/h2-16,33H,17H2,1H3,(H,30,34)(H2,29,35,36)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114432
PNG
(2-(3-Hydroxymethyl-naphthalen-2-yl)-5-methyl-2H-py...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CO
Show InChI InChI=1S/C28H24N4O4S/c1-18-14-26(32(31-18)25-16-21-7-3-2-6-20(21)15-22(25)17-33)28(34)30-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(29,35)36/h2-16,33H,17H2,1H3,(H,30,34)(H2,29,35,36)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114448
PNG
(2-[3-(4,5-Dihydro-1H-imidazol-2-yl)-naphthalen-2-y...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C1=NCCN1
Show InChI InChI=1S/C30H26N6O3S/c1-19-16-27(30(37)34-23-12-10-20(11-13-23)24-8-4-5-9-28(24)40(31,38)39)36(35-19)26-18-22-7-3-2-6-21(22)17-25(26)29-32-14-15-33-29/h2-13,16-18H,14-15H2,1H3,(H,32,33)(H,34,37)(H2,31,38,39)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114445
PNG
(2-(6-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-25(31(30-17)22-12-8-20-16-23(32)13-9-19(20)15-22)27(33)29-21-10-6-18(7-11-21)24-4-2-3-5-26(24)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114439
PNG
(2-(6-Bromo-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C27H21BrN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114441
PNG
(2-(6-Methoxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES COc1ccc2cc(ccc2c1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C28H24N4O4S/c1-18-15-26(32(31-18)23-13-9-21-17-24(36-2)14-10-20(21)16-23)28(33)30-22-11-7-19(8-12-22)25-5-3-4-6-27(25)37(29,34)35/h3-17H,1-2H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114437
PNG
(2-(3-Carbamoyl-naphthalen-2-yl)-5-methyl-2H-pyrazo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=O
Show InChI InChI=1S/C28H23N5O4S/c1-17-14-25(33(32-17)24-16-20-7-3-2-6-19(20)15-23(24)27(29)34)28(35)31-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(30,36)37/h2-16H,1H3,(H2,29,34)(H,31,35)(H2,30,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114437
PNG
(2-(3-Carbamoyl-naphthalen-2-yl)-5-methyl-2H-pyrazo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=O
Show InChI InChI=1S/C28H23N5O4S/c1-17-14-25(33(32-17)24-16-20-7-3-2-6-19(20)15-23(24)27(29)34)28(35)31-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(30,36)37/h2-16H,1H3,(H2,29,34)(H,31,35)(H2,30,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114445
PNG
(2-(6-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-25(31(30-17)22-12-8-20-16-23(32)13-9-19(20)15-22)27(33)29-21-10-6-18(7-11-21)24-4-2-3-5-26(24)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114434
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1F
Show InChI InChI=1S/C27H21FN4O3S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114446
PNG
(5-Methyl-2-naphthalen-2-yl-2H-pyrazole-3-carboxyli...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N4O3S/c1-18-16-25(31(30-18)23-15-12-19-6-2-3-7-21(19)17-23)27(32)29-22-13-10-20(11-14-22)24-8-4-5-9-26(24)35(28,33)34/h2-17H,1H3,(H,29,32)(H2,28,33,34)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114436
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C27H21ClN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114444
PNG
(2-(3-Aminomethyl-naphthalen-2-yl)-5-methyl-2H-pyra...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CN
Show InChI InChI=1S/C28H25N5O3S/c1-18-14-26(33(32-18)25-16-21-7-3-2-6-20(21)15-22(25)17-29)28(34)31-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(30,35)36/h2-16H,17,29H2,1H3,(H,31,34)(H2,30,35,36)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114437
PNG
(2-(3-Carbamoyl-naphthalen-2-yl)-5-methyl-2H-pyrazo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=O
Show InChI InChI=1S/C28H23N5O4S/c1-17-14-25(33(32-17)24-16-20-7-3-2-6-19(20)15-23(24)27(29)34)28(35)31-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(30,36)37/h2-16H,1H3,(H2,29,34)(H,31,35)(H2,30,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114450
PNG
(2-(3-Carbamimidoyl-naphthalen-2-yl)-5-methyl-2H-py...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=N
Show InChI InChI=1S/C28H24N6O3S/c1-17-14-25(34(33-17)24-16-20-7-3-2-6-19(20)15-23(24)27(29)30)28(35)32-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(31,36)37/h2-16H,1H3,(H3,29,30)(H,32,35)(H2,31,36,37)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114433
PNG
(2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
Show InChI InChI=1S/C28H24N4O5S2/c1-18-15-25(32(31-18)24-16-20-7-3-4-8-21(20)17-27(24)38(2,34)35)28(33)30-22-13-11-19(12-14-22)23-9-5-6-10-26(23)39(29,36)37/h3-17H,1-2H3,(H,30,33)(H2,29,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50114440
PNG
(2-(6-Chloro-benzothiazol-2-yl)-5-methyl-2H-pyrazol...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C24H18ClN5O3S2/c1-14-12-20(30(29-14)24-28-19-11-8-16(25)13-21(19)34-24)23(31)27-17-9-6-15(7-10-17)18-4-2-3-5-22(18)35(26,32)33/h2-13H,1H3,(H,27,31)(H2,26,32,33)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114439
PNG
(2-(6-Bromo-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C27H21BrN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114441
PNG
(2-(6-Methoxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES COc1ccc2cc(ccc2c1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C28H24N4O4S/c1-18-15-26(32(31-18)23-13-9-21-17-24(36-2)14-10-20(21)16-23)28(33)30-22-11-7-19(8-12-22)25-5-3-4-6-27(25)37(29,34)35/h3-17H,1-2H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114444
PNG
(2-(3-Aminomethyl-naphthalen-2-yl)-5-methyl-2H-pyra...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CN
Show InChI InChI=1S/C28H25N5O3S/c1-18-14-26(33(32-18)25-16-21-7-3-2-6-20(21)15-22(25)17-29)28(34)31-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(30,35)36/h2-16H,17,29H2,1H3,(H,31,34)(H2,30,35,36)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114438
PNG
(2-(3-Bromo-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1Br
Show InChI InChI=1S/C27H21BrN4O3S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114446
PNG
(5-Methyl-2-naphthalen-2-yl-2H-pyrazole-3-carboxyli...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N4O3S/c1-18-16-25(31(30-18)23-15-12-19-6-2-3-7-21(19)17-23)27(32)29-22-13-10-20(11-14-22)24-8-4-5-9-26(24)35(28,33)34/h2-17H,1H3,(H,29,32)(H2,28,33,34)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114435
PNG
(2-(3-Cyano-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C#N
Show InChI InChI=1S/C28H21N5O3S/c1-18-14-26(33(32-18)25-16-21-7-3-2-6-20(21)15-22(25)17-29)28(34)31-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(30,35)36/h2-16H,1H3,(H,31,34)(H2,30,35,36)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114444
PNG
(2-(3-Aminomethyl-naphthalen-2-yl)-5-methyl-2H-pyra...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CN
Show InChI InChI=1S/C28H25N5O3S/c1-18-14-26(33(32-18)25-16-21-7-3-2-6-20(21)15-22(25)17-29)28(34)31-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(30,35)36/h2-16H,17,29H2,1H3,(H,31,34)(H2,30,35,36)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114433
PNG
(2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
Show InChI InChI=1S/C28H24N4O5S2/c1-18-15-25(32(31-18)24-16-20-7-3-4-8-21(20)17-27(24)38(2,34)35)28(33)30-22-13-11-19(12-14-22)23-9-5-6-10-26(23)39(29,36)37/h3-17H,1-2H3,(H,30,33)(H2,29,36,37)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114446
PNG
(5-Methyl-2-naphthalen-2-yl-2H-pyrazole-3-carboxyli...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N4O3S/c1-18-16-25(31(30-18)23-15-12-19-6-2-3-7-21(19)17-23)27(32)29-22-13-10-20(11-14-22)24-8-4-5-9-26(24)35(28,33)34/h2-17H,1H3,(H,29,32)(H2,28,33,34)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114433
PNG
(2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
Show InChI InChI=1S/C28H24N4O5S2/c1-18-15-25(32(31-18)24-16-20-7-3-4-8-21(20)17-27(24)38(2,34)35)28(33)30-22-13-11-19(12-14-22)23-9-5-6-10-26(23)39(29,36)37/h3-17H,1-2H3,(H,30,33)(H2,29,36,37)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114449
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES COC(=O)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C29H24N4O5S/c1-18-15-26(33(32-18)25-17-21-8-4-3-7-20(21)16-24(25)29(35)38-2)28(34)31-22-13-11-19(12-14-22)23-9-5-6-10-27(23)39(30,36)37/h3-17H,1-2H3,(H,31,34)(H2,30,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114450
PNG
(2-(3-Carbamimidoyl-naphthalen-2-yl)-5-methyl-2H-py...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=N
Show InChI InChI=1S/C28H24N6O3S/c1-17-14-25(34(33-17)24-16-20-7-3-2-6-19(20)15-23(24)27(29)30)28(35)32-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(31,36)37/h2-16H,1H3,(H3,29,30)(H,32,35)(H2,31,36,37)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114433
PNG
(2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
Show InChI InChI=1S/C28H24N4O5S2/c1-18-15-25(32(31-18)24-16-20-7-3-4-8-21(20)17-27(24)38(2,34)35)28(33)30-22-13-11-19(12-14-22)23-9-5-6-10-26(23)39(29,36)37/h3-17H,1-2H3,(H,30,33)(H2,29,36,37)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114438
PNG
(2-(3-Bromo-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1Br
Show InChI InChI=1S/C27H21BrN4O3S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114443
PNG
(5-Methyl-2-(3-sulfamoyl-naphthalen-2-yl)-2H-pyrazo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(N)(=O)=O
Show InChI InChI=1S/C27H23N5O5S2/c1-17-14-24(32(31-17)23-15-19-6-2-3-7-20(19)16-26(23)39(29,36)37)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-25(22)38(28,34)35/h2-16H,1H3,(H,30,33)(H2,28,34,35)(H2,29,36,37)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114445
PNG
(2-(6-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-25(31(30-17)22-12-8-20-16-23(32)13-9-19(20)15-22)27(33)29-21-10-6-18(7-11-21)24-4-2-3-5-26(24)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114443
PNG
(5-Methyl-2-(3-sulfamoyl-naphthalen-2-yl)-2H-pyrazo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(N)(=O)=O
Show InChI InChI=1S/C27H23N5O5S2/c1-17-14-24(32(31-17)23-15-19-6-2-3-7-20(19)16-26(23)39(29,36)37)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-25(22)38(28,34)35/h2-16H,1H3,(H,30,33)(H2,28,34,35)(H2,29,36,37)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114438
PNG
(2-(3-Bromo-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1Br
Show InChI InChI=1S/C27H21BrN4O3S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114445
PNG
(2-(6-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-25(31(30-17)22-12-8-20-16-23(32)13-9-19(20)15-22)27(33)29-21-10-6-18(7-11-21)24-4-2-3-5-26(24)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114434
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1F
Show InChI InChI=1S/C27H21FN4O3S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114438
PNG
(2-(3-Bromo-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1Br
Show InChI InChI=1S/C27H21BrN4O3S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114432
PNG
(2-(3-Hydroxymethyl-naphthalen-2-yl)-5-methyl-2H-py...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CO
Show InChI InChI=1S/C28H24N4O4S/c1-18-14-26(32(31-18)25-16-21-7-3-2-6-20(21)15-22(25)17-33)28(34)30-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(29,35)36/h2-16,33H,17H2,1H3,(H,30,34)(H2,29,35,36)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114436
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C27H21ClN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114443
PNG
(5-Methyl-2-(3-sulfamoyl-naphthalen-2-yl)-2H-pyrazo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(N)(=O)=O
Show InChI InChI=1S/C27H23N5O5S2/c1-17-14-24(32(31-17)23-15-19-6-2-3-7-20(19)16-26(23)39(29,36)37)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-25(22)38(28,34)35/h2-16H,1H3,(H,30,33)(H2,28,34,35)(H2,29,36,37)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114437
PNG
(2-(3-Carbamoyl-naphthalen-2-yl)-5-methyl-2H-pyrazo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=O
Show InChI InChI=1S/C28H23N5O4S/c1-17-14-25(33(32-17)24-16-20-7-3-2-6-19(20)15-23(24)27(29)34)28(35)31-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(30,36)37/h2-16H,1H3,(H2,29,34)(H,31,35)(H2,30,36,37)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114452
PNG
(2-[3-(N,N-Dimethyl-carbamimidoyl)-naphthalen-2-yl]...)
Show SMILES CN(C)C(=N)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C30H28N6O3S/c1-19-16-27(36(34-19)26-18-22-9-5-4-8-21(22)17-25(26)29(31)35(2)3)30(37)33-23-14-12-20(13-15-23)24-10-6-7-11-28(24)40(32,38)39/h4-18,31H,1-3H3,(H,33,37)(H2,32,38,39)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114437
PNG
(2-(3-Carbamoyl-naphthalen-2-yl)-5-methyl-2H-pyrazo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=O
Show InChI InChI=1S/C28H23N5O4S/c1-17-14-25(33(32-17)24-16-20-7-3-2-6-19(20)15-23(24)27(29)34)28(35)31-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(30,36)37/h2-16H,1H3,(H2,29,34)(H,31,35)(H2,30,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114452
PNG
(2-[3-(N,N-Dimethyl-carbamimidoyl)-naphthalen-2-yl]...)
Show SMILES CN(C)C(=N)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C30H28N6O3S/c1-19-16-27(36(34-19)26-18-22-9-5-4-8-21(22)17-25(26)29(31)35(2)3)30(37)33-23-14-12-20(13-15-23)24-10-6-7-11-28(24)40(32,38)39/h4-18,31H,1-3H3,(H,33,37)(H2,32,38,39)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114441
PNG
(2-(6-Methoxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES COc1ccc2cc(ccc2c1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C28H24N4O4S/c1-18-15-26(32(31-18)23-13-9-21-17-24(36-2)14-10-20(21)16-23)28(33)30-22-11-7-19(8-12-22)25-5-3-4-6-27(25)37(29,34)35/h3-17H,1-2H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114443
PNG
(5-Methyl-2-(3-sulfamoyl-naphthalen-2-yl)-2H-pyrazo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(N)(=O)=O
Show InChI InChI=1S/C27H23N5O5S2/c1-17-14-24(32(31-17)23-15-19-6-2-3-7-20(19)16-26(23)39(29,36)37)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-25(22)38(28,34)35/h2-16H,1H3,(H,30,33)(H2,28,34,35)(H2,29,36,37)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114448
PNG
(2-[3-(4,5-Dihydro-1H-imidazol-2-yl)-naphthalen-2-y...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C1=NCCN1
Show InChI InChI=1S/C30H26N6O3S/c1-19-16-27(30(37)34-23-12-10-20(11-13-23)24-8-4-5-9-28(24)40(31,38)39)36(35-19)26-18-22-7-3-2-6-21(22)17-25(26)29-32-14-15-33-29/h2-13,16-18H,14-15H2,1H3,(H,32,33)(H,34,37)(H2,31,38,39)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114432
PNG
(2-(3-Hydroxymethyl-naphthalen-2-yl)-5-methyl-2H-py...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CO
Show InChI InChI=1S/C28H24N4O4S/c1-18-14-26(32(31-18)25-16-21-7-3-2-6-20(21)15-22(25)17-33)28(34)30-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(29,35)36/h2-16,33H,17H2,1H3,(H,30,34)(H2,29,35,36)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114437
PNG
(2-(3-Carbamoyl-naphthalen-2-yl)-5-methyl-2H-pyrazo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=O
Show InChI InChI=1S/C28H23N5O4S/c1-17-14-25(33(32-17)24-16-20-7-3-2-6-19(20)15-23(24)27(29)34)28(35)31-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(30,36)37/h2-16H,1H3,(H2,29,34)(H,31,35)(H2,30,36,37)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114443
PNG
(5-Methyl-2-(3-sulfamoyl-naphthalen-2-yl)-2H-pyrazo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(N)(=O)=O
Show InChI InChI=1S/C27H23N5O5S2/c1-17-14-24(32(31-17)23-15-19-6-2-3-7-20(19)16-26(23)39(29,36)37)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-25(22)38(28,34)35/h2-16H,1H3,(H,30,33)(H2,28,34,35)(H2,29,36,37)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114446
PNG
(5-Methyl-2-naphthalen-2-yl-2H-pyrazole-3-carboxyli...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N4O3S/c1-18-16-25(31(30-18)23-15-12-19-6-2-3-7-21(19)17-23)27(32)29-22-13-10-20(11-14-22)24-8-4-5-9-26(24)35(28,33)34/h2-17H,1H3,(H,29,32)(H2,28,33,34)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114434
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1F
Show InChI InChI=1S/C27H21FN4O3S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114442
PNG
(2-(3-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1O
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-24(31(30-17)23-15-19-6-2-3-7-20(19)16-25(23)32)27(33)29-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114441
PNG
(2-(6-Methoxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES COc1ccc2cc(ccc2c1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C28H24N4O4S/c1-18-15-26(32(31-18)23-13-9-21-17-24(36-2)14-10-20(21)16-23)28(33)30-22-11-7-19(8-12-22)25-5-3-4-6-27(25)37(29,34)35/h3-17H,1-2H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114452
PNG
(2-[3-(N,N-Dimethyl-carbamimidoyl)-naphthalen-2-yl]...)
Show SMILES CN(C)C(=N)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C30H28N6O3S/c1-19-16-27(36(34-19)26-18-22-9-5-4-8-21(22)17-25(26)29(31)35(2)3)30(37)33-23-14-12-20(13-15-23)24-10-6-7-11-28(24)40(32,38)39/h4-18,31H,1-3H3,(H,33,37)(H2,32,38,39)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114447
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C28H22N4O5S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28(34)35)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(29,36)37/h2-16H,1H3,(H,30,33)(H,34,35)(H2,29,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114435
PNG
(2-(3-Cyano-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C#N
Show InChI InChI=1S/C28H21N5O3S/c1-18-14-26(33(32-18)25-16-21-7-3-2-6-20(21)15-22(25)17-29)28(34)31-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(30,35)36/h2-16H,1H3,(H,31,34)(H2,30,35,36)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114447
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C28H22N4O5S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28(34)35)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(29,36)37/h2-16H,1H3,(H,30,33)(H,34,35)(H2,29,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114436
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C27H21ClN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114433
PNG
(2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
Show InChI InChI=1S/C28H24N4O5S2/c1-18-15-25(32(31-18)24-16-20-7-3-4-8-21(20)17-27(24)38(2,34)35)28(33)30-22-13-11-19(12-14-22)23-9-5-6-10-26(23)39(29,36)37/h3-17H,1-2H3,(H,30,33)(H2,29,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114442
PNG
(2-(3-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1O
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-24(31(30-17)23-15-19-6-2-3-7-20(19)16-25(23)32)27(33)29-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114444
PNG
(2-(3-Aminomethyl-naphthalen-2-yl)-5-methyl-2H-pyra...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CN
Show InChI InChI=1S/C28H25N5O3S/c1-18-14-26(33(32-18)25-16-21-7-3-2-6-20(21)15-22(25)17-29)28(34)31-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(30,35)36/h2-16H,17,29H2,1H3,(H,31,34)(H2,30,35,36)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114446
PNG
(5-Methyl-2-naphthalen-2-yl-2H-pyrazole-3-carboxyli...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N4O3S/c1-18-16-25(31(30-18)23-15-12-19-6-2-3-7-21(19)17-23)27(32)29-22-13-10-20(11-14-22)24-8-4-5-9-26(24)35(28,33)34/h2-17H,1H3,(H,29,32)(H2,28,33,34)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114450
PNG
(2-(3-Carbamimidoyl-naphthalen-2-yl)-5-methyl-2H-py...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=N
Show InChI InChI=1S/C28H24N6O3S/c1-17-14-25(34(33-17)24-16-20-7-3-2-6-19(20)15-23(24)27(29)30)28(35)32-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(31,36)37/h2-16H,1H3,(H3,29,30)(H,32,35)(H2,31,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114443
PNG
(5-Methyl-2-(3-sulfamoyl-naphthalen-2-yl)-2H-pyrazo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(N)(=O)=O
Show InChI InChI=1S/C27H23N5O5S2/c1-17-14-24(32(31-17)23-15-19-6-2-3-7-20(19)16-26(23)39(29,36)37)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-25(22)38(28,34)35/h2-16H,1H3,(H,30,33)(H2,28,34,35)(H2,29,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114449
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES COC(=O)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C29H24N4O5S/c1-18-15-26(33(32-18)25-17-21-8-4-3-7-20(21)16-24(25)29(35)38-2)28(34)31-22-13-11-19(12-14-22)23-9-5-6-10-27(23)39(30,36)37/h3-17H,1-2H3,(H,31,34)(H2,30,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114436
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C27H21ClN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114435
PNG
(2-(3-Cyano-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C#N
Show InChI InChI=1S/C28H21N5O3S/c1-18-14-26(33(32-18)25-16-21-7-3-2-6-20(21)15-22(25)17-29)28(34)31-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(30,35)36/h2-16H,1H3,(H,31,34)(H2,30,35,36)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114435
PNG
(2-(3-Cyano-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C#N
Show InChI InChI=1S/C28H21N5O3S/c1-18-14-26(33(32-18)25-16-21-7-3-2-6-20(21)15-22(25)17-29)28(34)31-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(30,35)36/h2-16H,1H3,(H,31,34)(H2,30,35,36)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114439
PNG
(2-(6-Bromo-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C27H21BrN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114448
PNG
(2-[3-(4,5-Dihydro-1H-imidazol-2-yl)-naphthalen-2-y...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C1=NCCN1
Show InChI InChI=1S/C30H26N6O3S/c1-19-16-27(30(37)34-23-12-10-20(11-13-23)24-8-4-5-9-28(24)40(31,38)39)36(35-19)26-18-22-7-3-2-6-21(22)17-25(26)29-32-14-15-33-29/h2-13,16-18H,14-15H2,1H3,(H,32,33)(H,34,37)(H2,31,38,39)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114433
PNG
(2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
Show InChI InChI=1S/C28H24N4O5S2/c1-18-15-25(32(31-18)24-16-20-7-3-4-8-21(20)17-27(24)38(2,34)35)28(33)30-22-13-11-19(12-14-22)23-9-5-6-10-26(23)39(29,36)37/h3-17H,1-2H3,(H,30,33)(H2,29,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114439
PNG
(2-(6-Bromo-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C27H21BrN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114434
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1F
Show InChI InChI=1S/C27H21FN4O3S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114442
PNG
(2-(3-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1O
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-24(31(30-17)23-15-19-6-2-3-7-20(19)16-25(23)32)27(33)29-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114432
PNG
(2-(3-Hydroxymethyl-naphthalen-2-yl)-5-methyl-2H-py...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CO
Show InChI InChI=1S/C28H24N4O4S/c1-18-14-26(32(31-18)25-16-21-7-3-2-6-20(21)15-22(25)17-33)28(34)30-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(29,35)36/h2-16,33H,17H2,1H3,(H,30,34)(H2,29,35,36)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114432
PNG
(2-(3-Hydroxymethyl-naphthalen-2-yl)-5-methyl-2H-py...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CO
Show InChI InChI=1S/C28H24N4O4S/c1-18-14-26(32(31-18)25-16-21-7-3-2-6-20(21)15-22(25)17-33)28(34)30-23-12-10-19(11-13-23)24-8-4-5-9-27(24)37(29,35)36/h2-16,33H,17H2,1H3,(H,30,34)(H2,29,35,36)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114438
PNG
(2-(3-Bromo-naphthalen-2-yl)-5-methyl-2H-pyrazole-3...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1Br
Show InChI InChI=1S/C27H21BrN4O3S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114441
PNG
(2-(6-Methoxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES COc1ccc2cc(ccc2c1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C28H24N4O4S/c1-18-15-26(32(31-18)23-13-9-21-17-24(36-2)14-10-20(21)16-23)28(33)30-22-11-7-19(8-12-22)25-5-3-4-6-27(25)37(29,34)35/h3-17H,1-2H3,(H,30,33)(H2,29,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114442
PNG
(2-(3-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1O
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-24(31(30-17)23-15-19-6-2-3-7-20(19)16-25(23)32)27(33)29-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114452
PNG
(2-[3-(N,N-Dimethyl-carbamimidoyl)-naphthalen-2-yl]...)
Show SMILES CN(C)C(=N)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C30H28N6O3S/c1-19-16-27(36(34-19)26-18-22-9-5-4-8-21(22)17-25(26)29(31)35(2)3)30(37)33-23-14-12-20(13-15-23)24-10-6-7-11-28(24)40(32,38)39/h4-18,31H,1-3H3,(H,33,37)(H2,32,38,39)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114442
PNG
(2-(3-Hydroxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1O
Show InChI InChI=1S/C27H22N4O4S/c1-17-14-24(31(30-17)23-15-19-6-2-3-7-20(19)16-25(23)32)27(33)29-21-12-10-18(11-13-21)22-8-4-5-9-26(22)36(28,34)35/h2-16,32H,1H3,(H,29,33)(H2,28,34,35)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50114449
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES COC(=O)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C29H24N4O5S/c1-18-15-26(33(32-18)25-17-21-8-4-3-7-20(21)16-24(25)29(35)38-2)28(34)31-22-13-11-19(12-14-22)23-9-5-6-10-27(23)39(30,36)37/h3-17H,1-2H3,(H,31,34)(H2,30,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114449
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES COC(=O)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C29H24N4O5S/c1-18-15-26(33(32-18)25-17-21-8-4-3-7-20(21)16-24(25)29(35)38-2)28(34)31-22-13-11-19(12-14-22)23-9-5-6-10-27(23)39(30,36)37/h3-17H,1-2H3,(H,31,34)(H2,30,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114449
PNG
(3-[3-Methyl-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl...)
Show SMILES COC(=O)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C29H24N4O5S/c1-18-15-26(33(32-18)25-17-21-8-4-3-7-20(21)16-24(25)29(35)38-2)28(34)31-22-13-11-19(12-14-22)23-9-5-6-10-27(23)39(30,36)37/h3-17H,1-2H3,(H,31,34)(H2,30,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114452
PNG
(2-[3-(N,N-Dimethyl-carbamimidoyl)-naphthalen-2-yl]...)
Show SMILES CN(C)C(=N)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C30H28N6O3S/c1-19-16-27(36(34-19)26-18-22-9-5-4-8-21(22)17-25(26)29(31)35(2)3)30(37)33-23-14-12-20(13-15-23)24-10-6-7-11-28(24)40(32,38)39/h4-18,31H,1-3H3,(H,33,37)(H2,32,38,39)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50114450
PNG
(2-(3-Carbamimidoyl-naphthalen-2-yl)-5-methyl-2H-py...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=N
Show InChI InChI=1S/C28H24N6O3S/c1-17-14-25(34(33-17)24-16-20-7-3-2-6-19(20)15-23(24)27(29)30)28(35)32-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(31,36)37/h2-16H,1H3,(H3,29,30)(H,32,35)(H2,31,36,37)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%