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28 similar compounds to monomer 50069194

Compile data set for download or QSAR
Wt: 469.5
BDBM50069189
Wt: 441.5
BDBM50069192
Wt: 455.5
BDBM50069195
Wt: 455.5
BDBM50067796
Wt: 483.5
BDBM50070823
Wt: 489.9
BDBM50070824
Wt: 516.0
BDBM50070825
Wt: 509.5
BDBM50070826
Wt: 543.9
BDBM50070827
Wt: 481.5
BDBM50070828
Wt: 485.5
BDBM50111720
Wt: 467.5
BDBM50111724
Wt: 470.5
BDBM50111727
Wt: 456.5
BDBM50111733
Wt: 442.4
BDBM50111734
Displayed 1 to 15 (of 28 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50069189,50069192,50069195,50067796,50070823,50070824,50070825,50070826,50070827,50070828,50111720,50111724,50111727,50111733,50111734   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50070824
PNG
(CHEMBL47920 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c(=O)n1CC(=O)NCc1ccc(N)nc1C
Show InChI InChI=1S/C22H24ClN5O4S/c1-14-3-9-19(27-33(31,32)13-16-4-7-18(23)8-5-16)22(30)28(14)12-21(29)25-11-17-6-10-20(24)26-15(17)2/h3-10,27H,11-13H2,1-2H3,(H2,24,26)(H,25,29)
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0.120n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit the thrombin enzyme


Bioorg Med Chem Lett 8: 1719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00297-2
BindingDB Entry DOI: 10.7270/Q2319V13
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50069189
PNG
(CHEMBL353431 | N-(6-Amino-2,4-dimethyl-pyridin-3-y...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H27N5O4S/c1-15-11-21(24)26-17(3)19(15)12-25-22(29)13-28-16(2)9-10-20(23(28)30)27-33(31,32)14-18-7-5-4-6-8-18/h4-11,27H,12-14H2,1-3H3,(H2,24,26)(H,25,29)
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0.330n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin was evaluated


Bioorg Med Chem Lett 8: 817-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00117-6
BindingDB Entry DOI: 10.7270/Q2JH3K9Z
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111724
PNG
(CHEMBL19731 | N-(4-Carbamimidoyl-benzyl)-2-(6-meth...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C23H25N5O4S/c1-16-7-12-20(27-33(31,32)15-18-5-3-2-4-6-18)23(30)28(16)14-21(29)26-13-17-8-10-19(11-9-17)22(24)25/h2-12,27H,13-15H2,1H3,(H3,24,25)(H,26,29)
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0.370n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00129-4
BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50067796
PNG
(CHEMBL11157 | L-374087 | N-((6-amino-2-methylpyrid...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H25N5O4S/c1-15-8-10-19(26-32(30,31)14-17-6-4-3-5-7-17)22(29)27(15)13-21(28)24-12-18-9-11-20(23)25-16(18)2/h3-11,26H,12-14H2,1-2H3,(H2,23,25)(H,24,28)
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against thrombin (IIa) was determined


J Med Chem 41: 4466-74 (1998)


Article DOI: 10.1021/jm980368v
BindingDB Entry DOI: 10.7270/Q2KK99X0
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50067796
PNG
(CHEMBL11157 | L-374087 | N-((6-amino-2-methylpyrid...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H25N5O4S/c1-15-8-10-19(26-32(30,31)14-17-6-4-3-5-7-17)22(29)27(15)13-21(28)24-12-18-9-11-20(23)25-16(18)2/h3-11,26H,12-14H2,1-2H3,(H2,23,25)(H,24,28)
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 18: 2062-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.098
BindingDB Entry DOI: 10.7270/Q2P27005
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50067796
PNG
(CHEMBL11157 | L-374087 | N-((6-amino-2-methylpyrid...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H25N5O4S/c1-15-8-10-19(26-32(30,31)14-17-6-4-3-5-7-17)22(29)27(15)13-21(28)24-12-18-9-11-20(23)25-16(18)2/h3-11,26H,12-14H2,1-2H3,(H2,23,25)(H,24,28)
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant evaluated against thrombin (Factor IIa)


Bioorg Med Chem Lett 13: 3477-82 (2003)


Article DOI: 10.1016/s0960-894x(03)00732-7
BindingDB Entry DOI: 10.7270/Q29P3119
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50067796
PNG
(CHEMBL11157 | L-374087 | N-((6-amino-2-methylpyrid...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H25N5O4S/c1-15-8-10-19(26-32(30,31)14-17-6-4-3-5-7-17)22(29)27(15)13-21(28)24-12-18-9-11-20(23)25-16(18)2/h3-11,26H,12-14H2,1-2H3,(H2,23,25)(H,24,28)
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit the thrombin enzyme


Bioorg Med Chem Lett 8: 1719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00297-2
BindingDB Entry DOI: 10.7270/Q2319V13
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50067796
PNG
(CHEMBL11157 | L-374087 | N-((6-amino-2-methylpyrid...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H25N5O4S/c1-15-8-10-19(26-32(30,31)14-17-6-4-3-5-7-17)22(29)27(15)13-21(28)24-12-18-9-11-20(23)25-16(18)2/h3-11,26H,12-14H2,1-2H3,(H2,23,25)(H,24,28)
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin was evaluated


Bioorg Med Chem Lett 8: 817-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00117-6
BindingDB Entry DOI: 10.7270/Q2JH3K9Z
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50067796
PNG
(CHEMBL11157 | L-374087 | N-((6-amino-2-methylpyrid...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H25N5O4S/c1-15-8-10-19(26-32(30,31)14-17-6-4-3-5-7-17)22(29)27(15)13-21(28)24-12-18-9-11-20(23)25-16(18)2/h3-11,26H,12-14H2,1-2H3,(H2,23,25)(H,24,28)
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0.680n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00129-4
BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50067796
PNG
(CHEMBL11157 | L-374087 | N-((6-amino-2-methylpyrid...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H25N5O4S/c1-15-8-10-19(26-32(30,31)14-17-6-4-3-5-7-17)22(29)27(15)13-21(28)24-12-18-9-11-20(23)25-16(18)2/h3-11,26H,12-14H2,1-2H3,(H2,23,25)(H,24,28)
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0.700n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate


Bioorg Med Chem Lett 12: 2925-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00585-1
BindingDB Entry DOI: 10.7270/Q27946WJ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50070823
PNG
(CHEMBL45480 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES CCCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1C
Show InChI InChI=1S/C24H29N5O4S/c1-3-7-20-11-12-21(28-34(32,33)16-18-8-5-4-6-9-18)24(31)29(20)15-23(30)26-14-19-10-13-22(25)27-17(19)2/h4-6,8-13,28H,3,7,14-16H2,1-2H3,(H2,25,27)(H,26,30)
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0.850n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit the thrombin enzyme


Bioorg Med Chem Lett 8: 1719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00297-2
BindingDB Entry DOI: 10.7270/Q2319V13
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50070827
PNG
(CHEMBL46135 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1=O)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3N5O4S/c1-13-15(4-9-19(27)29-13)10-28-20(32)11-31-18(22(24,25)26)8-7-17(21(31)33)30-36(34,35)12-14-2-5-16(23)6-3-14/h2-9,30H,10-12H2,1H3,(H2,27,29)(H,28,32)
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2.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit the thrombin enzyme


Bioorg Med Chem Lett 8: 1719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00297-2
BindingDB Entry DOI: 10.7270/Q2319V13
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111720
PNG
(CHEMBL19619 | N-(4-Carbamimidoyl-3-fluoro-benzyl)-...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(N)=N)c(F)c1
Show InChI InChI=1S/C23H24FN5O4S/c1-15-7-10-20(28-34(32,33)14-16-5-3-2-4-6-16)23(31)29(15)13-21(30)27-12-17-8-9-18(22(25)26)19(24)11-17/h2-11,28H,12-14H2,1H3,(H3,25,26)(H,27,30)
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3.60n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00129-4
BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50070825
PNG
(CHEMBL49457 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1=O)C1CC1
Show InChI InChI=1S/C24H26ClN5O4S/c1-15-18(6-11-22(26)28-15)12-27-23(31)13-30-21(17-4-5-17)10-9-20(24(30)32)29-35(33,34)14-16-2-7-19(25)8-3-16/h2-3,6-11,17,29H,4-5,12-14H2,1H3,(H2,26,28)(H,27,31)
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4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit the thrombin enzyme


Bioorg Med Chem Lett 8: 1719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00297-2
BindingDB Entry DOI: 10.7270/Q2319V13
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50069195
PNG
(CHEMBL354555 | N-(6-Amino-4-methyl-pyridin-3-ylmet...)
Show SMILES Cc1cc(N)ncc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H25N5O4S/c1-15-10-20(23)24-11-18(15)12-25-21(28)13-27-16(2)8-9-19(22(27)29)26-32(30,31)14-17-6-4-3-5-7-17/h3-11,26H,12-14H2,1-2H3,(H2,23,24)(H,25,28)
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin was evaluated


Bioorg Med Chem Lett 8: 817-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00117-6
BindingDB Entry DOI: 10.7270/Q2JH3K9Z
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50070826
PNG
(CHEMBL46331 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(ccc(NS(=O)(=O)Cc2ccccc2)c1=O)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O4S/c1-14-16(7-10-19(26)28-14)11-27-20(31)12-30-18(22(23,24)25)9-8-17(21(30)32)29-35(33,34)13-15-5-3-2-4-6-15/h2-10,29H,11-13H2,1H3,(H2,26,28)(H,27,31)
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit the thrombin enzyme


Bioorg Med Chem Lett 8: 1719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00297-2
BindingDB Entry DOI: 10.7270/Q2319V13
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50070828
PNG
(CHEMBL431535 | N-(6-Amino-2-methyl-pyridin-3-ylmet...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(ccc(NS(=O)(=O)Cc2ccccc2)c1=O)C1CC1
Show InChI InChI=1S/C24H27N5O4S/c1-16-19(9-12-22(25)27-16)13-26-23(30)14-29-21(18-7-8-18)11-10-20(24(29)31)28-34(32,33)15-17-5-3-2-4-6-17/h2-6,9-12,18,28H,7-8,13-15H2,1H3,(H2,25,27)(H,26,30)
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16n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit the thrombin enzyme


Bioorg Med Chem Lett 8: 1719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00297-2
BindingDB Entry DOI: 10.7270/Q2319V13
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50069192
PNG
(CHEMBL48929 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H23N5O4S/c1-15-17(9-10-19(22)24-15)12-23-20(27)13-26-11-5-8-18(21(26)28)25-31(29,30)14-16-6-3-2-4-7-16/h2-11,25H,12-14H2,1H3,(H2,22,24)(H,23,27)
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26n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin was evaluated


Bioorg Med Chem Lett 8: 817-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00117-6
BindingDB Entry DOI: 10.7270/Q2JH3K9Z
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50069192
PNG
(CHEMBL48929 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H23N5O4S/c1-15-17(9-10-19(22)24-15)12-23-20(27)13-26-11-5-8-18(21(26)28)25-31(29,30)14-16-6-3-2-4-7-16/h2-11,25H,12-14H2,1H3,(H2,22,24)(H,23,27)
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26n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit the thrombin enzyme


Bioorg Med Chem Lett 8: 1719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00297-2
BindingDB Entry DOI: 10.7270/Q2319V13
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50111724
PNG
(CHEMBL19731 | N-(4-Carbamimidoyl-benzyl)-2-(6-meth...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C23H25N5O4S/c1-16-7-12-20(27-33(31,32)15-18-5-3-2-4-6-18)23(30)28(16)14-21(29)26-13-17-8-10-19(11-9-17)22(24)25/h2-12,27H,13-15H2,1H3,(H3,24,25)(H,26,29)
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49n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against trypsin


Bioorg Med Chem Lett 12: 1203-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00129-4
BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111733
PNG
(CHEMBL283945 | N-(2-Amino-4-methyl-pyrimidin-5-ylm...)
Show SMILES Cc1nc(N)ncc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H24N6O4S/c1-14-8-9-18(26-32(30,31)13-16-6-4-3-5-7-16)20(29)27(14)12-19(28)23-10-17-11-24-21(22)25-15(17)2/h3-9,11,26H,10,12-13H2,1-2H3,(H,23,28)(H2,22,24,25)
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85n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00129-4
BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111734
PNG
(CHEMBL19241 | N-(5-Amino-pyrazin-2-ylmethyl)-2-(6-...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)cn1
Show InChI InChI=1S/C20H22N6O4S/c1-14-7-8-17(25-31(29,30)13-15-5-3-2-4-6-15)20(28)26(14)12-19(27)24-10-16-9-23-18(21)11-22-16/h2-9,11,25H,10,12-13H2,1H3,(H2,21,23)(H,24,27)
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158n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00129-4
BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111727
PNG
(CHEMBL19728 | N-(2-Amino-4,6-dimethyl-pyrimidin-5-...)
Show SMILES Cc1nc(N)nc(C)c1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H26N6O4S/c1-14-9-10-19(27-33(31,32)13-17-7-5-4-6-8-17)21(30)28(14)12-20(29)24-11-18-15(2)25-22(23)26-16(18)3/h4-10,27H,11-13H2,1-3H3,(H,24,29)(H2,23,25,26)
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281n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00129-4
BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50070823
PNG
(CHEMBL45480 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES CCCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1C
Show InChI InChI=1S/C24H29N5O4S/c1-3-7-20-11-12-21(28-34(32,33)16-18-8-5-4-6-9-18)24(31)29(20)15-23(30)26-14-19-10-13-22(25)27-17(19)2/h4-6,8-13,28H,3,7,14-16H2,1-2H3,(H2,25,27)(H,26,30)
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1.40E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit the trypsin enzyme


Bioorg Med Chem Lett 8: 1719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00297-2
BindingDB Entry DOI: 10.7270/Q2319V13
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50069195
PNG
(CHEMBL354555 | N-(6-Amino-4-methyl-pyridin-3-ylmet...)
Show SMILES Cc1cc(N)ncc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H25N5O4S/c1-15-10-20(23)24-11-18(15)12-25-21(28)13-27-16(2)8-9-19(22(27)29)26-32(30,31)14-17-6-4-3-5-7-17/h3-11,26H,12-14H2,1-2H3,(H2,23,24)(H,25,28)
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1.50E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards trypsin was evaluated


Bioorg Med Chem Lett 8: 817-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00117-6
BindingDB Entry DOI: 10.7270/Q2JH3K9Z
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50070828
PNG
(CHEMBL431535 | N-(6-Amino-2-methyl-pyridin-3-ylmet...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(ccc(NS(=O)(=O)Cc2ccccc2)c1=O)C1CC1
Show InChI InChI=1S/C24H27N5O4S/c1-16-19(9-12-22(25)27-16)13-26-23(30)14-29-21(18-7-8-18)11-10-20(24(29)31)28-34(32,33)15-17-5-3-2-4-6-17/h2-6,9-12,18,28H,7-8,13-15H2,1H3,(H2,25,27)(H,26,30)
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1.70E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit the trypsin enzyme


Bioorg Med Chem Lett 8: 1719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00297-2
BindingDB Entry DOI: 10.7270/Q2319V13
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50070825
PNG
(CHEMBL49457 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1=O)C1CC1
Show InChI InChI=1S/C24H26ClN5O4S/c1-15-18(6-11-22(26)28-15)12-27-23(31)13-30-21(17-4-5-17)10-9-20(24(30)32)29-35(33,34)14-16-2-7-19(25)8-3-16/h2-3,6-11,17,29H,4-5,12-14H2,1H3,(H2,26,28)(H,27,31)
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1.90E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit the trypsin enzyme


Bioorg Med Chem Lett 8: 1719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00297-2
BindingDB Entry DOI: 10.7270/Q2319V13
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50069189
PNG
(CHEMBL353431 | N-(6-Amino-2,4-dimethyl-pyridin-3-y...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H27N5O4S/c1-15-11-21(24)26-17(3)19(15)12-25-22(29)13-28-16(2)9-10-20(23(28)30)27-33(31,32)14-18-7-5-4-6-8-18/h4-11,27H,12-14H2,1-3H3,(H2,24,26)(H,25,29)
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2.10E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards trypsin was evaluated


Bioorg Med Chem Lett 8: 817-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00117-6
BindingDB Entry DOI: 10.7270/Q2JH3K9Z
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50070826
PNG
(CHEMBL46331 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(ccc(NS(=O)(=O)Cc2ccccc2)c1=O)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O4S/c1-14-16(7-10-19(26)28-14)11-27-20(31)12-30-18(22(23,24)25)9-8-17(21(30)32)29-35(33,34)13-15-5-3-2-4-6-15/h2-10,29H,11-13H2,1H3,(H2,26,28)(H,27,31)
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2.50E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit the trypsin enzyme


Bioorg Med Chem Lett 8: 1719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00297-2
BindingDB Entry DOI: 10.7270/Q2319V13
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50070824
PNG
(CHEMBL47920 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c(=O)n1CC(=O)NCc1ccc(N)nc1C
Show InChI InChI=1S/C22H24ClN5O4S/c1-14-3-9-19(27-33(31,32)13-16-4-7-18(23)8-5-16)22(30)28(14)12-21(29)25-11-17-6-10-20(24)26-15(17)2/h3-10,27H,11-13H2,1-2H3,(H2,24,26)(H,25,29)
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2.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit the trypsin enzyme


Bioorg Med Chem Lett 8: 1719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00297-2
BindingDB Entry DOI: 10.7270/Q2319V13
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50067796
PNG
(CHEMBL11157 | L-374087 | N-((6-amino-2-methylpyrid...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H25N5O4S/c1-15-8-10-19(26-32(30,31)14-17-6-4-3-5-7-17)22(29)27(15)13-21(28)24-12-18-9-11-20(23)25-16(18)2/h3-11,26H,12-14H2,1-2H3,(H2,23,25)(H,24,28)
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3.20E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit the trypsin enzyme


Bioorg Med Chem Lett 8: 1719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00297-2
BindingDB Entry DOI: 10.7270/Q2319V13
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50067796
PNG
(CHEMBL11157 | L-374087 | N-((6-amino-2-methylpyrid...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H25N5O4S/c1-15-8-10-19(26-32(30,31)14-17-6-4-3-5-7-17)22(29)27(15)13-21(28)24-12-18-9-11-20(23)25-16(18)2/h3-11,26H,12-14H2,1-2H3,(H2,23,25)(H,24,28)
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3.20E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against trypsin was determined


J Med Chem 41: 4466-74 (1998)


Article DOI: 10.1021/jm980368v
BindingDB Entry DOI: 10.7270/Q2KK99X0
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50067796
PNG
(CHEMBL11157 | L-374087 | N-((6-amino-2-methylpyrid...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H25N5O4S/c1-15-8-10-19(26-32(30,31)14-17-6-4-3-5-7-17)22(29)27(15)13-21(28)24-12-18-9-11-20(23)25-16(18)2/h3-11,26H,12-14H2,1-2H3,(H2,23,25)(H,24,28)
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3.20E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards trypsin was evaluated


Bioorg Med Chem Lett 8: 817-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00117-6
BindingDB Entry DOI: 10.7270/Q2JH3K9Z
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50067796
PNG
(CHEMBL11157 | L-374087 | N-((6-amino-2-methylpyrid...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H25N5O4S/c1-15-8-10-19(26-32(30,31)14-17-6-4-3-5-7-17)22(29)27(15)13-21(28)24-12-18-9-11-20(23)25-16(18)2/h3-11,26H,12-14H2,1-2H3,(H2,23,25)(H,24,28)
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3.20E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant evaluated against trypsin


Bioorg Med Chem Lett 13: 3477-82 (2003)


Article DOI: 10.1016/s0960-894x(03)00732-7
BindingDB Entry DOI: 10.7270/Q29P3119
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50070827
PNG
(CHEMBL46135 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1=O)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3N5O4S/c1-13-15(4-9-19(27)29-13)10-28-20(32)11-31-18(22(24,25)26)8-7-17(21(31)33)30-36(34,35)12-14-2-5-16(23)6-3-14/h2-9,30H,10-12H2,1H3,(H2,27,29)(H,28,32)
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3.40E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit the trypsin enzyme


Bioorg Med Chem Lett 8: 1719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00297-2
BindingDB Entry DOI: 10.7270/Q2319V13
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50069192
PNG
(CHEMBL48929 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H23N5O4S/c1-15-17(9-10-19(22)24-15)12-23-20(27)13-26-11-5-8-18(21(26)28)25-31(29,30)14-16-6-3-2-4-7-16/h2-11,25H,12-14H2,1H3,(H2,22,24)(H,23,27)
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2.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit the trypsin enzyme


Bioorg Med Chem Lett 8: 1719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00297-2
BindingDB Entry DOI: 10.7270/Q2319V13
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50069192
PNG
(CHEMBL48929 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H23N5O4S/c1-15-17(9-10-19(22)24-15)12-23-20(27)13-26-11-5-8-18(21(26)28)25-31(29,30)14-16-6-3-2-4-7-16/h2-11,25H,12-14H2,1H3,(H2,22,24)(H,23,27)
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2.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards trypsin was evaluated


Bioorg Med Chem Lett 8: 817-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00117-6
BindingDB Entry DOI: 10.7270/Q2JH3K9Z
More data for this
Ligand-Target Pair