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PubMed code 14640539

Compile data set for download or QSAR
Found 112 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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12657
PNG
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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0.150n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM12657
PNG
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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0.300n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of rabbit Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM50135953
PNG
(2-(2-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CN)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-9-5-3-7-17(22)15-10-11-19(18(26)12-15)31-24(34)21-13-23(25(27,28)29)32-33(21)20-8-4-2-6-16(20)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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0.460n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135943
PNG
(2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...)
Show SMILES COc1ccc(c(CN)c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H22F4N4O4S/c1-38-17-8-10-21(16(11-17)14-31)34-22(13-24(33-34)26(28,29)30)25(35)32-20-9-7-15(12-19(20)27)18-5-3-4-6-23(18)39(2,36)37/h3-13H,14,31H2,1-2H3,(H,32,35)
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0.540n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135960
PNG
(2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...)
Show SMILES COc1ccc(c(CN)c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H21F4N5O4S/c1-38-16-7-9-20(15(10-16)13-30)34-21(12-23(33-34)25(27,28)29)24(35)32-19-8-6-14(11-18(19)26)17-4-2-3-5-22(17)39(31,36)37/h2-12H,13,30H2,1H3,(H,32,35)(H2,31,36,37)
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0.880n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135945
PNG
(1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoyl...)
Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H19F4N5O3S/c25-17-11-14(16-6-2-4-8-21(16)37(30,35)36)9-10-18(17)31-23(34)20-12-22(24(26,27)28)32-33(20)19-7-3-1-5-15(19)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36)
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0.910n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM50135966
PNG
(2-(2-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CN)C(F)(F)F)cc1
Show InChI InChI=1S/C25H21F3N4O3S/c1-36(34,35)22-9-5-3-7-19(22)16-10-12-18(13-11-16)30-24(33)21-14-23(25(26,27)28)31-32(21)20-8-4-2-6-17(20)15-29/h2-14H,15,29H2,1H3,(H,30,33)
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1n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135961
PNG
(2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...)
Show SMILES COc1ccc(c(CN)c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O4S/c1-37-19-11-12-21(17(13-19)15-30)33-22(14-24(32-33)26(27,28)29)25(34)31-18-9-7-16(8-10-18)20-5-3-4-6-23(20)38(2,35)36/h3-14H,15,30H2,1-2H3,(H,31,34)
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1.70n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135951
PNG
(2-(2-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...)
Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H20F3N5O3S/c25-24(26,27)22-13-20(32(31-22)19-7-3-1-5-16(19)14-28)23(33)30-17-11-9-15(10-12-17)18-6-2-4-8-21(18)36(29,34)35/h1-13H,14,28H2,(H,30,33)(H2,29,34,35)
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1.80n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135954
PNG
(2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...)
Show SMILES COc1ccc(c(CN)c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5O4S/c1-37-18-10-11-20(16(12-18)14-29)33-21(13-23(32-33)25(26,27)28)24(34)31-17-8-6-15(7-9-17)19-4-2-3-5-22(19)38(30,35)36/h2-13H,14,29H2,1H3,(H,31,34)(H2,30,35,36)
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2.40n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135966
PNG
(2-(2-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CN)C(F)(F)F)cc1
Show InChI InChI=1S/C25H21F3N4O3S/c1-36(34,35)22-9-5-3-7-19(22)16-10-12-18(13-11-16)30-24(33)21-14-23(25(26,27)28)31-32(21)20-8-4-2-6-17(20)15-29/h2-14H,15,29H2,1H3,(H,30,33)
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2.60n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of rabbit Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM18965
PNG
(1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(CN)c1
Show InChI InChI=1S/C24H23N5O3S/c1-16-13-22(29(28-16)20-6-4-5-17(14-20)15-25)24(30)27-19-11-9-18(10-12-19)21-7-2-3-8-23(21)33(26,31)32/h2-14H,15,25H2,1H3,(H,27,30)(H2,26,31,32)
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2.70n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135962
PNG
(2-(4-Methoxy-phenyl)-5-trifluoromethyl-2H-pyrazole...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C23H18F3N5O4S/c1-35-16-9-7-15(8-10-16)31-18(12-20(30-31)23(24,25)26)22(32)29-21-11-6-14(13-28-21)17-4-2-3-5-19(17)36(27,33)34/h2-13H,1H3,(H2,27,33,34)(H,28,29,32)
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2.80n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135945
PNG
(1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoyl...)
Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H19F4N5O3S/c25-17-11-14(16-6-2-4-8-21(16)37(30,35)36)9-10-18(17)31-23(34)20-12-22(24(26,27)28)32-33(20)19-7-3-1-5-15(19)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36)
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2.90n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of rabbit Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM50135959
PNG
(2-(4-Methoxy-phenyl)-5-trifluoromethyl-2H-pyrazole...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H19F3N4O4S/c1-35-18-12-10-17(11-13-18)31-20(14-22(30-31)24(25,26)27)23(32)29-16-8-6-15(7-9-16)19-4-2-3-5-21(19)36(28,33)34/h2-14H,1H3,(H,29,32)(H2,28,33,34)
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3.5n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12705
PNG
(CHEMBL146793 | N-[2-fluoro-4-(2-methanesulfonylphe...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H19F4N3O4S/c1-36-17-10-8-16(9-11-17)32-21(14-23(31-32)25(27,28)29)24(33)30-20-12-7-15(13-19(20)26)18-5-3-4-6-22(18)37(2,34)35/h3-14H,1-2H3,(H,30,33)
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3.60n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135946
PNG
(2-(2-Aminomethyl-4-methoxy-phenyl)-5-methyl-2H-pyr...)
Show SMILES COc1ccc(c(CN)c1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C25H25N5O4S/c1-16-13-23(30(29-16)22-12-11-20(34-2)14-18(22)15-26)25(31)28-19-9-7-17(8-10-19)21-5-3-4-6-24(21)35(27,32)33/h3-14H,15,26H2,1-2H3,(H,28,31)(H2,27,32,33)
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3.80n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135955
PNG
(2-(4-Methoxy-phenyl)-5-trifluoromethyl-2H-pyrazole...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H18F4N4O4S/c1-36-16-9-7-15(8-10-16)32-20(13-22(31-32)24(26,27)28)23(33)30-19-11-6-14(12-18(19)25)17-4-2-3-5-21(17)37(29,34)35/h2-13H,1H3,(H,30,33)(H2,29,34,35)
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4.20n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135953
PNG
(2-(2-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CN)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-9-5-3-7-17(22)15-10-11-19(18(26)12-15)31-24(34)21-13-23(25(27,28)29)32-33(21)20-8-4-2-6-16(20)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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4.30n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of rabbit Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135951
PNG
(2-(2-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...)
Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H20F3N5O3S/c25-24(26,27)22-13-20(32(31-22)19-7-3-1-5-16(19)14-28)23(33)30-17-11-9-15(10-12-17)18-6-2-4-8-21(18)36(29,34)35/h1-13H,14,28H2,(H,30,33)(H2,29,34,35)
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4.60n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of rabbit Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135965
PNG
(2-(4-Methoxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H21FN4O4S/c1-15-13-22(29(28-15)17-8-10-18(33-2)11-9-17)24(30)27-21-12-7-16(14-20(21)25)19-5-3-4-6-23(19)34(26,31)32/h3-14H,1-2H3,(H,27,30)(H2,26,31,32)
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5.30n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM18971
PNG
(1-(4-methoxyphenyl)-3-methyl-N-[4-(2-sulfamoylphen...)
Show SMILES COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H22N4O4S/c1-16-15-22(28(27-16)19-11-13-20(32-2)14-12-19)24(29)26-18-9-7-17(8-10-18)21-5-3-4-6-23(21)33(25,30)31/h3-15H,1-2H3,(H,26,29)(H2,25,30,31)
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11n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135948
PNG
(2-(4-Methoxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C23H21N5O4S/c1-15-13-20(28(27-15)17-8-10-18(32-2)11-9-17)23(29)26-22-12-7-16(14-25-22)19-5-3-4-6-21(19)33(24,30)31/h3-14H,1-2H3,(H2,24,30,31)(H,25,26,29)
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16n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135947
PNG
(2-(2-Methylaminomethyl-phenyl)-5-trifluoromethyl-2...)
Show SMILES CNCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H22F4N4O3S/c1-31-15-17-7-3-5-9-21(17)34-22(14-24(33-34)26(28,29)30)25(35)32-20-12-11-16(13-19(20)27)18-8-4-6-10-23(18)38(2,36)37/h3-14,31H,15H2,1-2H3,(H,32,35)
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28n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135949
PNG
(2-[2-(Isopropylamino-methyl)-phenyl]-5-trifluorome...)
Show SMILES CC(C)NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C28H26F4N4O3S/c1-17(2)33-16-19-8-4-6-10-23(19)36-24(15-26(35-36)28(30,31)32)27(37)34-22-13-12-18(14-21(22)29)20-9-5-7-11-25(20)40(3,38)39/h4-15,17,33H,16H2,1-3H3,(H,34,37)
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38n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50135945
PNG
(1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoyl...)
Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H19F4N5O3S/c25-17-11-14(16-6-2-4-8-21(16)37(30,35)36)9-10-18(17)31-23(34)20-12-22(24(26,27)28)32-33(20)19-7-3-1-5-15(19)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36)
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58n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human plasma Kallikriene


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM12657
PNG
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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60n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135957
PNG
(2-[2-(Benzylamino-methyl)-phenyl]-5-trifluoromethy...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CNCc2ccccc2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C32H26F4N4O3S/c1-44(42,43)29-14-8-6-12-24(29)22-15-16-26(25(33)17-22)38-31(41)28-18-30(32(34,35)36)39-40(28)27-13-7-5-11-23(27)20-37-19-21-9-3-2-4-10-21/h2-18,37H,19-20H2,1H3,(H,38,41)
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61n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM12657
PNG
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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61n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human plasma Kallikriene


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135950
PNG
(2-(3-Methoxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES COc1cccc(c1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H22N4O4S/c1-16-14-22(28(27-16)19-6-5-7-20(15-19)32-2)24(29)26-18-12-10-17(11-13-18)21-8-3-4-9-23(21)33(25,30)31/h3-15H,1-2H3,(H,26,29)(H2,25,30,31)
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110n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135942
PNG
(2-[2-(2-Amino-ethyl)-phenyl]-5-trifluoromethyl-2H-...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CCN)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C26H22F4N4O3S/c1-38(36,37)23-9-5-3-7-18(23)17-10-11-20(19(27)14-17)32-25(35)22-15-24(26(28,29)30)33-34(22)21-8-4-2-6-16(21)12-13-31/h2-11,14-15H,12-13,31H2,1H3,(H,32,35)
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110n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135956
PNG
(2-(3-Hydroxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C23H20N4O4S/c1-15-13-21(27(26-15)18-5-4-6-19(28)14-18)23(29)25-17-11-9-16(10-12-17)20-7-2-3-8-22(20)32(24,30)31/h2-14,28H,1H3,(H,25,29)(H2,24,30,31)
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164n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM18974
PNG
(3-methyl-1-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccccc1
Show InChI InChI=1S/C23H20N4O3S/c1-16-15-21(27(26-16)19-7-3-2-4-8-19)23(28)25-18-13-11-17(12-14-18)20-9-5-6-10-22(20)31(24,29)30/h2-15H,1H3,(H,25,28)(H2,24,29,30)
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198n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM18965
PNG
(1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(CN)c1
Show InChI InChI=1S/C24H23N5O3S/c1-16-13-22(29(28-16)20-6-4-5-17(14-20)15-25)24(30)27-19-11-9-18(10-12-19)21-7-2-3-8-23(21)33(26,31)32/h2-14H,15,25H2,1H3,(H,27,30)(H2,26,31,32)
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250n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135941
PNG
(2-(3-Aminomethyl-4-methoxy-phenyl)-5-methyl-2H-pyr...)
Show SMILES COc1ccc(cc1CN)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C25H25N5O4S/c1-16-13-22(30(29-16)20-11-12-23(34-2)18(14-20)15-26)25(31)28-19-9-7-17(8-10-19)21-5-3-4-6-24(21)35(27,32)33/h3-14H,15,26H2,1-2H3,(H,28,31)(H2,27,32,33)
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270n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135958
PNG
(2-[2-(3-Amino-propyl)-phenyl]-5-trifluoromethyl-2H...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CCCN)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C27H24F4N4O3S/c1-39(37,38)24-11-5-3-9-19(24)18-12-13-21(20(28)15-18)33-26(36)23-16-25(27(29,30)31)34-35(23)22-10-4-2-7-17(22)8-6-14-32/h2-5,7,9-13,15-16H,6,8,14,32H2,1H3,(H,33,36)
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600n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135964
PNG
(2-(2-Dimethylaminomethyl-phenyl)-5-trifluoromethyl...)
Show SMILES CN(C)Cc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C27H24F4N4O3S/c1-34(2)16-18-8-4-6-10-22(18)35-23(15-25(33-35)27(29,30)31)26(36)32-21-13-12-17(14-20(21)28)19-9-5-7-11-24(19)39(3,37)38/h4-15H,16H2,1-3H3,(H,32,36)
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800n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135944
PNG
(2-(4-Hydroxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc(O)cc1
Show InChI InChI=1S/C23H20N4O4S/c1-15-14-21(27(26-15)18-10-12-19(28)13-11-18)23(29)25-17-8-6-16(7-9-17)20-4-2-3-5-22(20)32(24,30)31/h2-14,28H,1H3,(H,25,29)(H2,24,30,31)
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900n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135963
PNG
(2-(2-Hydroxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccccc1O
Show InChI InChI=1S/C23H20N4O4S/c1-15-14-20(27(26-15)19-7-3-4-8-21(19)28)23(29)25-17-12-10-16(11-13-17)18-6-2-5-9-22(18)32(24,30)31/h2-14,28H,1H3,(H,25,29)(H2,24,30,31)
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1.20E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135966
PNG
(2-(2-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CN)C(F)(F)F)cc1
Show InChI InChI=1S/C25H21F3N4O3S/c1-36(34,35)22-9-5-3-7-19(22)16-10-12-18(13-11-16)30-24(33)21-14-23(25(26,27)28)31-32(21)20-8-4-2-6-17(20)15-29/h2-14H,15,29H2,1H3,(H,30,33)
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1.40E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135952
PNG
(2-(2-Methoxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES COc1ccccc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H22N4O4S/c1-16-15-21(28(27-16)20-8-4-5-9-22(20)32-2)24(29)26-18-13-11-17(12-14-18)19-7-3-6-10-23(19)33(25,30)31/h3-15H,1-2H3,(H,26,29)(H2,25,30,31)
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>1.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135950
PNG
(2-(3-Methoxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES COc1cccc(c1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H22N4O4S/c1-16-14-22(28(27-16)19-6-5-7-20(15-19)32-2)24(29)26-18-12-10-17(11-13-18)21-8-3-4-9-23(21)33(25,30)31/h3-15H,1-2H3,(H,26,29)(H2,25,30,31)
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>1.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135962
PNG
(2-(4-Methoxy-phenyl)-5-trifluoromethyl-2H-pyrazole...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C23H18F3N5O4S/c1-35-16-9-7-15(8-10-16)31-18(12-20(30-31)23(24,25)26)22(32)29-21-11-6-14(13-28-21)17-4-2-3-5-19(17)36(27,33)34/h2-13H,1H3,(H2,27,33,34)(H,28,29,32)
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>1.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM18971
PNG
(1-(4-methoxyphenyl)-3-methyl-N-[4-(2-sulfamoylphen...)
Show SMILES COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H22N4O4S/c1-16-15-22(28(27-16)19-11-13-20(32-2)14-12-19)24(29)26-18-9-7-17(8-10-18)21-5-3-4-6-23(21)33(25,30)31/h3-15H,1-2H3,(H,26,29)(H2,25,30,31)
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>1.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM18974
PNG
(3-methyl-1-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccccc1
Show InChI InChI=1S/C23H20N4O3S/c1-16-15-21(27(26-16)19-7-3-2-4-8-19)23(28)25-18-13-11-17(12-14-18)20-9-5-6-10-22(20)31(24,29)30/h2-15H,1H3,(H,25,28)(H2,24,29,30)
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>1.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135948
PNG
(2-(4-Methoxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C23H21N5O4S/c1-15-13-20(28(27-15)17-8-10-18(32-2)11-9-17)23(29)26-22-12-7-16(14-25-22)19-5-3-4-6-21(19)33(24,30)31/h3-14H,1-2H3,(H2,24,30,31)(H,25,26,29)
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>1.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135963
PNG
(2-(2-Hydroxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccccc1O
Show InChI InChI=1S/C23H20N4O4S/c1-15-14-20(27(26-15)19-7-3-4-8-21(19)28)23(29)25-17-12-10-16(11-13-17)18-6-2-5-9-22(18)32(24,30)31/h2-14,28H,1H3,(H,25,29)(H2,24,30,31)
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>1.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135953
PNG
(2-(2-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CN)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-9-5-3-7-17(22)15-10-11-19(18(26)12-15)31-24(34)21-13-23(25(27,28)29)32-33(21)20-8-4-2-6-16(20)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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1.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135956
PNG
(2-(3-Hydroxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C23H20N4O4S/c1-15-13-21(27(26-15)18-5-4-6-19(28)14-18)23(29)25-17-11-9-16(10-12-17)20-7-2-3-8-22(20)32(24,30)31/h2-14,28H,1H3,(H,25,29)(H2,24,30,31)
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>1.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135944
PNG
(2-(4-Hydroxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc(O)cc1
Show InChI InChI=1S/C23H20N4O4S/c1-15-14-21(27(26-15)18-10-12-19(28)13-11-18)23(29)25-17-8-6-16(7-9-17)20-4-2-3-5-22(20)32(24,30)31/h2-14,28H,1H3,(H,25,29)(H2,24,30,31)
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>1.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135959
PNG
(2-(4-Methoxy-phenyl)-5-trifluoromethyl-2H-pyrazole...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H19F3N4O4S/c1-35-18-12-10-17(11-13-18)31-20(14-22(30-31)24(25,26)27)23(32)29-16-8-6-15(7-9-16)19-4-2-3-5-21(19)36(28,33)34/h2-14H,1H3,(H,29,32)(H2,28,33,34)
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>1.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135965
PNG
(2-(4-Methoxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H21FN4O4S/c1-15-13-22(29(28-15)17-8-10-18(33-2)11-9-17)24(30)27-21-12-7-16(14-20(21)25)19-5-3-4-6-23(19)34(26,31)32/h3-14H,1-2H3,(H,27,30)(H2,26,31,32)
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>1.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135966
PNG
(2-(2-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CN)C(F)(F)F)cc1
Show InChI InChI=1S/C25H21F3N4O3S/c1-36(34,35)22-9-5-3-7-19(22)16-10-12-18(13-11-16)30-24(33)21-14-23(25(26,27)28)31-32(21)20-8-4-2-6-17(20)15-29/h2-14H,15,29H2,1H3,(H,30,33)
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>1.60E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135960
PNG
(2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...)
Show SMILES COc1ccc(c(CN)c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H21F4N5O4S/c1-38-16-7-9-20(15(10-16)13-30)34-21(12-23(33-34)25(27,28)29)24(35)32-19-8-6-14(11-18(19)26)17-4-2-3-5-22(17)39(31,36)37/h2-12H,13,30H2,1H3,(H,32,35)(H2,31,36,37)
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>1.60E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135943
PNG
(2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...)
Show SMILES COc1ccc(c(CN)c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H22F4N4O4S/c1-38-17-8-10-21(16(11-17)14-31)34-22(13-24(33-34)26(28,29)30)25(35)32-20-9-7-15(12-19(20)27)18-5-3-4-6-23(18)39(2,36)37/h3-13H,14,31H2,1-2H3,(H,32,35)
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>1.60E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135961
PNG
(2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...)
Show SMILES COc1ccc(c(CN)c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O4S/c1-37-19-11-12-21(17(13-19)15-30)33-22(14-24(32-33)26(27,28)29)25(34)31-18-9-7-16(8-10-18)20-5-3-4-6-23(20)38(2,35)36/h3-14H,15,30H2,1-2H3,(H,31,34)
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PubMed
>1.60E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135954
PNG
(2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...)
Show SMILES COc1ccc(c(CN)c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5O4S/c1-37-18-10-11-20(16(12-18)14-29)33-21(13-23(32-33)25(26,27)28)24(34)31-17-8-6-15(7-9-17)19-4-2-3-5-22(19)38(30,35)36/h2-13H,14,29H2,1H3,(H,31,34)(H2,30,35,36)
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>1.60E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135951
PNG
(2-(2-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...)
Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H20F3N5O3S/c25-24(26,27)22-13-20(32(31-22)19-7-3-1-5-16(19)14-28)23(33)30-17-11-9-15(10-12-17)18-6-2-4-8-21(18)36(29,34)35/h1-13H,14,28H2,(H,30,33)(H2,29,34,35)
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>1.60E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135946
PNG
(2-(2-Aminomethyl-4-methoxy-phenyl)-5-methyl-2H-pyr...)
Show SMILES COc1ccc(c(CN)c1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C25H25N5O4S/c1-16-13-23(30(29-16)22-12-11-20(34-2)14-18(22)15-26)25(31)28-19-9-7-17(8-10-19)21-5-3-4-6-24(21)35(27,32)33/h3-14H,15,26H2,1-2H3,(H,28,31)(H2,27,32,33)
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>1.60E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM12657
PNG
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human activated protein C


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12657
PNG
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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PubMed
2.20E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor IX


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135942
PNG
(2-[2-(2-Amino-ethyl)-phenyl]-5-trifluoromethyl-2H-...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CCN)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C26H22F4N4O3S/c1-38(36,37)23-9-5-3-7-18(23)17-10-11-20(19(27)14-17)32-25(35)22-15-24(26(28,29)30)33-34(22)21-8-4-2-6-16(21)12-13-31/h2-11,14-15H,12-13,31H2,1H3,(H,32,35)
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>2.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135953
PNG
(2-(2-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CN)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-9-5-3-7-17(22)15-10-11-19(18(26)12-15)31-24(34)21-13-23(25(27,28)29)32-33(21)20-8-4-2-6-16(20)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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>2.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM12705
PNG
(CHEMBL146793 | N-[2-fluoro-4-(2-methanesulfonylphe...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H19F4N3O4S/c1-36-17-10-8-16(9-11-17)32-21(14-23(31-32)25(27,28)29)24(33)30-20-12-7-15(13-19(20)26)18-5-3-4-6-22(18)37(2,34)35/h3-14H,1-2H3,(H,30,33)
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>2.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135949
PNG
(2-[2-(Isopropylamino-methyl)-phenyl]-5-trifluorome...)
Show SMILES CC(C)NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C28H26F4N4O3S/c1-17(2)33-16-19-8-4-6-10-23(19)36-24(15-26(35-36)28(30,31)32)27(37)34-22-13-12-18(14-21(22)29)20-9-5-7-11-25(20)40(3,38)39/h4-15,17,33H,16H2,1-3H3,(H,34,37)
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>2.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135947
PNG
(2-(2-Methylaminomethyl-phenyl)-5-trifluoromethyl-2...)
Show SMILES CNCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H22F4N4O3S/c1-31-15-17-7-3-5-9-21(17)34-22(14-24(33-34)26(28,29)30)25(35)32-20-12-11-16(13-19(20)27)18-8-4-6-10-23(18)38(2,36)37/h3-14,31H,15H2,1-2H3,(H,32,35)
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>2.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50135945
PNG
(1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoyl...)
Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H19F4N5O3S/c25-17-11-14(16-6-2-4-8-21(16)37(30,35)36)9-10-18(17)31-23(34)20-12-22(24(26,27)28)32-33(20)19-7-3-1-5-15(19)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36)
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PubMed
3.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135945
PNG
(1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoyl...)
Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H19F4N5O3S/c25-17-11-14(16-6-2-4-8-21(16)37(30,35)36)9-10-18(17)31-23(34)20-12-22(24(26,27)28)32-33(20)19-7-3-1-5-15(19)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36)
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3.60E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135951
PNG
(2-(2-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...)
Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H20F3N5O3S/c25-24(26,27)22-13-20(32(31-22)19-7-3-1-5-16(19)14-28)23(33)30-17-11-9-15(10-12-17)18-6-2-4-8-21(18)36(29,34)35/h1-13H,14,28H2,(H,30,33)(H2,29,34,35)
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4.10E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50135945
PNG
(1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoyl...)
Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H19F4N5O3S/c25-17-11-14(16-6-2-4-8-21(16)37(30,35)36)9-10-18(17)31-23(34)20-12-22(24(26,27)28)32-33(20)19-7-3-1-5-15(19)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36)
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4.60E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human activated protein C


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM18965
PNG
(1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(CN)c1
Show InChI InChI=1S/C24H23N5O3S/c1-16-13-22(29(28-16)20-6-4-5-17(14-20)15-25)24(30)27-19-11-9-18(10-12-19)21-7-2-3-8-23(21)33(26,31)32/h2-14H,15,25H2,1H3,(H,27,30)(H2,26,31,32)
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6.00E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM12657
PNG
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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6.00E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135943
PNG
(2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...)
Show SMILES COc1ccc(c(CN)c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H22F4N4O4S/c1-38-17-8-10-21(16(11-17)14-31)34-22(13-24(33-34)26(28,29)30)25(35)32-20-9-7-15(12-19(20)27)18-5-3-4-6-23(18)39(2,36)37/h3-13H,14,31H2,1-2H3,(H,32,35)
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6.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50135945
PNG
(1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoyl...)
Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H19F4N5O3S/c25-17-11-14(16-6-2-4-8-21(16)37(30,35)36)9-10-18(17)31-23(34)20-12-22(24(26,27)28)32-33(20)19-7-3-1-5-15(19)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36)
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PubMed
6.80E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Chymotrypsinogen


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135961
PNG
(2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...)
Show SMILES COc1ccc(c(CN)c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O4S/c1-37-19-11-12-21(17(13-19)15-30)33-22(14-24(32-33)26(27,28)29)25(34)31-18-9-7-16(8-10-18)20-5-3-4-6-23(20)38(2,35)36/h3-14H,15,30H2,1-2H3,(H,31,34)
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9.10E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50135945
PNG
(1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoyl...)
Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H19F4N5O3S/c25-17-11-14(16-6-2-4-8-21(16)37(30,35)36)9-10-18(17)31-23(34)20-12-22(24(26,27)28)32-33(20)19-7-3-1-5-15(19)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36)
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>1.20E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor IX


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50135945
PNG
(1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoyl...)
Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H19F4N5O3S/c25-17-11-14(16-6-2-4-8-21(16)37(30,35)36)9-10-18(17)31-23(34)20-12-22(24(26,27)28)32-33(20)19-7-3-1-5-15(19)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36)
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>1.30E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Urokinase-type plasminogen activator


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135941
PNG
(2-(3-Aminomethyl-4-methoxy-phenyl)-5-methyl-2H-pyr...)
Show SMILES COc1ccc(cc1CN)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C25H25N5O4S/c1-16-13-22(30(29-16)20-11-12-23(34-2)18(14-20)15-26)25(31)28-19-9-7-17(8-10-19)21-5-3-4-6-24(21)35(27,32)33/h3-14H,15,26H2,1-2H3,(H,28,31)(H2,27,32,33)
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>1.30E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135954
PNG
(2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...)
Show SMILES COc1ccc(c(CN)c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5O4S/c1-37-18-10-11-20(16(12-18)14-29)33-21(13-23(32-33)25(26,27)28)24(34)31-17-8-6-15(7-9-17)19-4-2-3-5-22(19)38(30,35)36/h2-13H,14,29H2,1H3,(H,31,34)(H2,30,35,36)
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1.40E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50135945
PNG
(1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoyl...)
Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H19F4N5O3S/c25-17-11-14(16-6-2-4-8-21(16)37(30,35)36)9-10-18(17)31-23(34)20-12-22(24(26,27)28)32-33(20)19-7-3-1-5-15(19)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36)
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>1.50E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor VIIa


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM12657
PNG
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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>1.50E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor VII


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50135945
PNG
(1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoyl...)
Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H19F4N5O3S/c25-17-11-14(16-6-2-4-8-21(16)37(30,35)36)9-10-18(17)31-23(34)20-12-22(24(26,27)28)32-33(20)19-7-3-1-5-15(19)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36)
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>1.50E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human plasmin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135960
PNG
(2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...)
Show SMILES COc1ccc(c(CN)c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H21F4N5O4S/c1-38-16-7-9-20(15(10-16)13-30)34-21(12-23(33-34)25(27,28)29)24(35)32-19-8-6-14(11-18(19)26)17-4-2-3-5-22(17)39(31,36)37/h2-12H,13,30H2,1H3,(H,32,35)(H2,31,36,37)
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1.50E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM12657
PNG
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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>1.70E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Chymotrypsinogen


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM12657
PNG
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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>1.90E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Urokinase-type plasminogen activator


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135962
PNG
(2-(4-Methoxy-phenyl)-5-trifluoromethyl-2H-pyrazole...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C23H18F3N5O4S/c1-35-16-9-7-15(8-10-16)31-18(12-20(30-31)23(24,25)26)22(32)29-21-11-6-14(13-28-21)17-4-2-3-5-19(17)36(27,33)34/h2-13H,1H3,(H2,27,33,34)(H,28,29,32)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135958
PNG
(2-[2-(3-Amino-propyl)-phenyl]-5-trifluoromethyl-2H...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CCCN)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C27H24F4N4O3S/c1-39(37,38)24-11-5-3-9-19(24)18-12-13-21(20(28)15-18)33-26(36)23-16-25(27(29,30)31)34-35(23)22-10-4-2-7-17(22)8-6-14-32/h2-5,7,9-13,15-16H,6,8,14,32H2,1H3,(H,33,36)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135952
PNG
(2-(2-Methoxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES COc1ccccc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H22N4O4S/c1-16-15-21(28(27-16)20-8-4-5-9-22(20)32-2)24(29)26-18-13-11-17(12-14-18)19-7-3-6-10-23(19)33(25,30)31/h3-15H,1-2H3,(H,26,29)(H2,25,30,31)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135950
PNG
(2-(3-Methoxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES COc1cccc(c1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H22N4O4S/c1-16-14-22(28(27-16)19-6-5-7-20(15-19)32-2)24(29)26-18-12-10-17(11-13-18)21-8-3-4-9-23(21)33(25,30)31/h3-15H,1-2H3,(H,26,29)(H2,25,30,31)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135948
PNG
(2-(4-Methoxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C23H21N5O4S/c1-15-13-20(28(27-15)17-8-10-18(32-2)11-9-17)23(29)26-22-12-7-16(14-25-22)19-5-3-4-6-21(19)33(24,30)31/h3-14H,1-2H3,(H2,24,30,31)(H,25,26,29)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135965
PNG
(2-(4-Methoxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H21FN4O4S/c1-15-13-22(29(28-15)17-8-10-18(33-2)11-9-17)24(30)27-21-12-7-16(14-20(21)25)19-5-3-4-6-23(19)34(26,31)32/h3-14H,1-2H3,(H,27,30)(H2,26,31,32)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135946
PNG
(2-(2-Aminomethyl-4-methoxy-phenyl)-5-methyl-2H-pyr...)
Show SMILES COc1ccc(c(CN)c1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C25H25N5O4S/c1-16-13-23(30(29-16)22-12-11-20(34-2)14-18(22)15-26)25(31)28-19-9-7-17(8-10-19)21-5-3-4-6-24(21)35(27,32)33/h3-14H,15,26H2,1-2H3,(H,28,31)(H2,27,32,33)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135957
PNG
(2-[2-(Benzylamino-methyl)-phenyl]-5-trifluoromethy...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CNCc2ccccc2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C32H26F4N4O3S/c1-44(42,43)29-14-8-6-12-24(29)22-15-16-26(25(33)17-22)38-31(41)28-18-30(32(34,35)36)39-40(28)27-13-7-5-11-23(27)20-37-19-21-9-3-2-4-10-21/h2-18,37H,19-20H2,1H3,(H,38,41)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM12705
PNG
(CHEMBL146793 | N-[2-fluoro-4-(2-methanesulfonylphe...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H19F4N3O4S/c1-36-17-10-8-16(9-11-17)32-21(14-23(31-32)25(27,28)29)24(33)30-20-12-7-15(13-19(20)26)18-5-3-4-6-22(18)37(2,34)35/h3-14H,1-2H3,(H,30,33)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135947
PNG
(2-(2-Methylaminomethyl-phenyl)-5-trifluoromethyl-2...)
Show SMILES CNCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H22F4N4O3S/c1-31-15-17-7-3-5-9-21(17)34-22(14-24(33-34)26(28,29)30)25(35)32-20-12-11-16(13-19(20)27)18-8-4-6-10-23(18)38(2,36)37/h3-14,31H,15H2,1-2H3,(H,32,35)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135944
PNG
(2-(4-Hydroxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc(O)cc1
Show InChI InChI=1S/C23H20N4O4S/c1-15-14-21(27(26-15)18-10-12-19(28)13-11-18)23(29)25-17-8-6-16(7-9-17)20-4-2-3-5-22(20)32(24,30)31/h2-14,28H,1H3,(H,25,29)(H2,24,30,31)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135959
PNG
(2-(4-Methoxy-phenyl)-5-trifluoromethyl-2H-pyrazole...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H19F3N4O4S/c1-35-18-12-10-17(11-13-18)31-20(14-22(30-31)24(25,26)27)23(32)29-16-8-6-15(7-9-16)19-4-2-3-5-21(19)36(28,33)34/h2-14H,1H3,(H,29,32)(H2,28,33,34)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135942
PNG
(2-[2-(2-Amino-ethyl)-phenyl]-5-trifluoromethyl-2H-...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CCN)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C26H22F4N4O3S/c1-38(36,37)23-9-5-3-7-18(23)17-10-11-20(19(27)14-17)32-25(35)22-15-24(26(28,29)30)33-34(22)21-8-4-2-6-16(21)12-13-31/h2-11,14-15H,12-13,31H2,1H3,(H,32,35)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135963
PNG
(2-(2-Hydroxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccccc1O
Show InChI InChI=1S/C23H20N4O4S/c1-15-14-20(27(26-15)19-7-3-4-8-21(19)28)23(29)25-17-12-10-16(11-13-17)18-6-2-5-9-22(18)32(24,30)31/h2-14,28H,1H3,(H,25,29)(H2,24,30,31)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM18974
PNG
(3-methyl-1-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccccc1
Show InChI InChI=1S/C23H20N4O3S/c1-16-15-21(27(26-16)19-7-3-2-4-8-19)23(28)25-18-13-11-17(12-14-18)20-9-5-6-10-22(20)31(24,29)30/h2-15H,1H3,(H,25,28)(H2,24,29,30)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM18971
PNG
(1-(4-methoxyphenyl)-3-methyl-N-[4-(2-sulfamoylphen...)
Show SMILES COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H22N4O4S/c1-16-15-22(28(27-16)19-11-13-20(32-2)14-12-19)24(29)26-18-9-7-17(8-10-18)21-5-3-4-6-23(21)33(25,30)31/h3-15H,1-2H3,(H,26,29)(H2,25,30,31)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135956
PNG
(2-(3-Hydroxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C23H20N4O4S/c1-15-13-21(27(26-15)18-5-4-6-19(28)14-18)23(29)25-17-11-9-16(10-12-17)20-7-2-3-8-22(20)32(24,30)31/h2-14,28H,1H3,(H,25,29)(H2,24,30,31)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135955
PNG
(2-(4-Methoxy-phenyl)-5-trifluoromethyl-2H-pyrazole...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H18F4N4O4S/c1-36-16-9-7-15(8-10-16)32-20(13-22(31-32)24(26,27)28)23(33)30-19-11-6-14(12-18(19)25)17-4-2-3-5-21(17)37(29,34)35/h2-13H,1H3,(H,30,33)(H2,29,34,35)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135964
PNG
(2-(2-Dimethylaminomethyl-phenyl)-5-trifluoromethyl...)
Show SMILES CN(C)Cc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C27H24F4N4O3S/c1-34(2)16-18-8-4-6-10-22(18)35-23(15-25(33-35)27(29,30)31)26(36)32-21-13-12-17(14-20(21)28)19-9-5-7-11-24(19)39(3,37)38/h4-15H,16H2,1-3H3,(H,32,36)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135949
PNG
(2-[2-(Isopropylamino-methyl)-phenyl]-5-trifluorome...)
Show SMILES CC(C)NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C28H26F4N4O3S/c1-17(2)33-16-19-8-4-6-10-23(19)36-24(15-26(35-36)28(30,31)32)27(37)34-22-13-12-18(14-21(22)29)20-9-5-7-11-25(20)40(3,38)39/h4-15,17,33H,16H2,1-3H3,(H,34,37)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50135952
PNG
(2-(2-Methoxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES COc1ccccc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H22N4O4S/c1-16-15-21(28(27-16)20-8-4-5-9-22(20)32-2)24(29)26-18-13-11-17(12-14-18)19-7-3-6-10-23(19)33(25,30)31/h3-15H,1-2H3,(H,26,29)(H2,25,30,31)
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>3.00E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50135945
PNG
(1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoyl...)
Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H19F4N5O3S/c25-17-11-14(16-6-2-4-8-21(16)37(30,35)36)9-10-18(17)31-23(34)20-12-22(24(26,27)28)32-33(20)19-7-3-1-5-15(19)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36)
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>3.30E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Tissue type plasminogen activator


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM12657
PNG
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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>3.50E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human plasmin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM12657
PNG
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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>4.50E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Tissue type plasminogen activator


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%