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PubMed code 27287367

Compile data set for download or QSAR
Found 36 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
Trypsin


(Homo sapiens (Human))		BDBM50189306
PNG
(CHEMBL3594083)
Show SMILES NC(=N)c1ccc(NCCCCCCCCNc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H32N6/c23-21(24)17-7-11-19(12-8-17)27-15-5-3-1-2-4-6-16-28-20-13-9-18(10-14-20)22(25)26/h7-14,27-28H,1-6,15-16H2,(H3,23,24)(H3,25,26)
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 192n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human trypsin using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50189311
PNG
(4,4''-(1,2-Phenylenebis(Methylene))Bis(Oxy)Dibenzi...)
Show SMILES NC(=N)c1ccc(OCc2ccccc2COc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)15-5-9-19(10-6-15)27-13-17-3-1-2-4-18(17)14-28-20-11-7-16(8-12-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
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 221n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human trypsin using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50189307
PNG
(CHEMBL3594082)
Show SMILES NC(=N)c1ccc(NCCCCCCCNc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C21H30N6/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13,26-27H,1-5,14-15H2,(H3,22,23)(H3,24,25)
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 244n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human trypsin using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50189311
PNG
(4,4''-(1,2-Phenylenebis(Methylene))Bis(Oxy)Dibenzi...)
Show SMILES NC(=N)c1ccc(OCc2ccccc2COc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)15-5-9-19(10-6-15)27-13-17-3-1-2-4-18(17)14-28-20-11-7-16(8-12-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
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 279n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using Cbz-Gly-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50189310
PNG
(4,4''-(1,4-Phenylenebis(Methylene))Bis(Oxy)Dibenzi...)
Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)cc2)cc1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)17-5-9-19(10-6-17)27-13-15-1-2-16(4-3-15)14-28-20-11-7-18(8-12-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
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 316n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human trypsin using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50189306
PNG
(CHEMBL3594083)
Show SMILES NC(=N)c1ccc(NCCCCCCCCNc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H32N6/c23-21(24)17-7-11-19(12-8-17)27-15-5-3-1-2-4-6-16-28-20-13-9-18(10-14-20)22(25)26/h7-14,27-28H,1-6,15-16H2,(H3,23,24)(H3,25,26)
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 317n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using Cbz-Gly-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50189310
PNG
(4,4''-(1,4-Phenylenebis(Methylene))Bis(Oxy)Dibenzi...)
Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)cc2)cc1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)17-5-9-19(10-6-17)27-13-15-1-2-16(4-3-15)14-28-20-11-7-18(8-12-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
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 327n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of bovine factor 10a using Boc-Ile-Glu-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50189307
PNG
(CHEMBL3594082)
Show SMILES NC(=N)c1ccc(NCCCCCCCNc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C21H30N6/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13,26-27H,1-5,14-15H2,(H3,22,23)(H3,24,25)
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 391n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of bovine factor 10a using Boc-Ile-Glu-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))		BDBM50189308
PNG
(CHEMBL269032)
Show SMILES NC(=N)c1ccc(cc1)N1CCCN(CC1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C19H24N6/c20-18(21)14-2-6-16(7-3-14)24-10-1-11-25(13-12-24)17-8-4-15(5-9-17)19(22)23/h2-9H,1,10-13H2,(H3,20,21)(H3,22,23)
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 397n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))		BDBM50189305
PNG
(CHEMBL3828410)
Show SMILES NC(=N)c1ccc(NC(=O)C(=O)Nc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C16H16N6O2/c17-13(18)9-1-5-11(6-2-9)21-15(23)16(24)22-12-7-3-10(4-8-12)14(19)20/h1-8H,(H3,17,18)(H3,19,20)(H,21,23)(H,22,24)
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 492n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50189307
PNG
(CHEMBL3594082)
Show SMILES NC(=N)c1ccc(NCCCCCCCNc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C21H30N6/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13,26-27H,1-5,14-15H2,(H3,22,23)(H3,24,25)
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 499n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using Cbz-Gly-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50189309
PNG
(CHEMBL9126)
Show SMILES NC(=N)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H22N6/c19-17(20)13-1-5-15(6-2-13)23-9-11-24(12-10-23)16-7-3-14(4-8-16)18(21)22/h1-8H,9-12H2,(H3,19,20)(H3,21,22)
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 513n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human trypsin using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))		BDBM50189306
PNG
(CHEMBL3594083)
Show SMILES NC(=N)c1ccc(NCCCCCCCCNc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H32N6/c23-21(24)17-7-11-19(12-8-17)27-15-5-3-1-2-4-6-16-28-20-13-9-18(10-14-20)22(25)26/h7-14,27-28H,1-6,15-16H2,(H3,23,24)(H3,25,26)
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 526n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))		BDBM50189307
PNG
(CHEMBL3594082)
Show SMILES NC(=N)c1ccc(NCCCCCCCNc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C21H30N6/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13,26-27H,1-5,14-15H2,(H3,22,23)(H3,24,25)
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 558n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))		BDBM50189309
PNG
(CHEMBL9126)
Show SMILES NC(=N)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H22N6/c19-17(20)13-1-5-15(6-2-13)23-9-11-24(12-10-23)16-7-3-14(4-8-16)18(21)22/h1-8H,9-12H2,(H3,19,20)(H3,21,22)
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 719n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))		BDBM50189310
PNG
(4,4''-(1,4-Phenylenebis(Methylene))Bis(Oxy)Dibenzi...)
Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)cc2)cc1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)17-5-9-19(10-6-17)27-13-15-1-2-16(4-3-15)14-28-20-11-7-18(8-12-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
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 816n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50189310
PNG
(4,4''-(1,4-Phenylenebis(Methylene))Bis(Oxy)Dibenzi...)
Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)cc2)cc1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)17-5-9-19(10-6-17)27-13-15-1-2-16(4-3-15)14-28-20-11-7-18(8-12-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
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 1.16E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using Cbz-Gly-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))		BDBM50189309
PNG
(CHEMBL9126)
Show SMILES NC(=N)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H22N6/c19-17(20)13-1-5-15(6-2-13)23-9-11-24(12-10-23)16-7-3-14(4-8-16)18(21)22/h1-8H,9-12H2,(H3,19,20)(H3,21,22)
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 1.16E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase-2 transfected in HEK cells using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50189306
PNG
(CHEMBL3594083)
Show SMILES NC(=N)c1ccc(NCCCCCCCCNc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H32N6/c23-21(24)17-7-11-19(12-8-17)27-15-5-3-1-2-4-6-16-28-20-13-9-18(10-14-20)22(25)26/h7-14,27-28H,1-6,15-16H2,(H3,23,24)(H3,25,26)
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 1.29E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of bovine factor 10a using Boc-Ile-Glu-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50189305
PNG
(CHEMBL3828410)
Show SMILES NC(=N)c1ccc(NC(=O)C(=O)Nc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C16H16N6O2/c17-13(18)9-1-5-11(6-2-9)21-15(23)16(24)22-12-7-3-10(4-8-12)14(19)20/h1-8H,(H3,17,18)(H3,19,20)(H,21,23)(H,22,24)
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 1.42E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human trypsin using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))		BDBM50189306
PNG
(CHEMBL3594083)
Show SMILES NC(=N)c1ccc(NCCCCCCCCNc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H32N6/c23-21(24)17-7-11-19(12-8-17)27-15-5-3-1-2-4-6-16-28-20-13-9-18(10-14-20)22(25)26/h7-14,27-28H,1-6,15-16H2,(H3,23,24)(H3,25,26)
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 1.64E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase-2 transfected in HEK cells using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50189308
PNG
(CHEMBL269032)
Show SMILES NC(=N)c1ccc(cc1)N1CCCN(CC1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C19H24N6/c20-18(21)14-2-6-16(7-3-14)24-10-1-11-25(13-12-24)17-8-4-15(5-9-17)19(22)23/h2-9H,1,10-13H2,(H3,20,21)(H3,22,23)
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 1.90E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human trypsin using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))		BDBM50189311
PNG
(4,4''-(1,2-Phenylenebis(Methylene))Bis(Oxy)Dibenzi...)
Show SMILES NC(=N)c1ccc(OCc2ccccc2COc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)15-5-9-19(10-6-15)27-13-17-3-1-2-4-18(17)14-28-20-11-7-16(8-12-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
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 2.28E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50189310
PNG
(4,4''-(1,4-Phenylenebis(Methylene))Bis(Oxy)Dibenzi...)
Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)cc2)cc1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)17-5-9-19(10-6-17)27-13-15-1-2-16(4-3-15)14-28-20-11-7-18(8-12-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
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 3.40E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using BANA/BPVANA as substrate after 15 to 40 mins

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))		BDBM50189307
PNG
(CHEMBL3594082)
Show SMILES NC(=N)c1ccc(NCCCCCCCNc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C21H30N6/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13,26-27H,1-5,14-15H2,(H3,22,23)(H3,24,25)
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 3.68E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase-2 transfected in HEK cells using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))		BDBM50189308
PNG
(CHEMBL269032)
Show SMILES NC(=N)c1ccc(cc1)N1CCCN(CC1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C19H24N6/c20-18(21)14-2-6-16(7-3-14)24-10-1-11-25(13-12-24)17-8-4-15(5-9-17)19(22)23/h2-9H,1,10-13H2,(H3,20,21)(H3,22,23)
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 4.39E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase-2 transfected in HEK cells using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))		BDBM50189311
PNG
(4,4''-(1,2-Phenylenebis(Methylene))Bis(Oxy)Dibenzi...)
Show SMILES NC(=N)c1ccc(OCc2ccccc2COc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)15-5-9-19(10-6-15)27-13-17-3-1-2-4-18(17)14-28-20-11-7-16(8-12-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
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 5.20E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase-2 transfected in HEK cells using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50189308
PNG
(CHEMBL269032)
Show SMILES NC(=N)c1ccc(cc1)N1CCCN(CC1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C19H24N6/c20-18(21)14-2-6-16(7-3-14)24-10-1-11-25(13-12-24)17-8-4-15(5-9-17)19(22)23/h2-9H,1,10-13H2,(H3,20,21)(H3,22,23)
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 5.30E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using Cbz-Gly-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))		BDBM50189310
PNG
(4,4''-(1,4-Phenylenebis(Methylene))Bis(Oxy)Dibenzi...)
Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)cc2)cc1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)17-5-9-19(10-6-17)27-13-15-1-2-16(4-3-15)14-28-20-11-7-18(8-12-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
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 5.70E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase-2 transfected in HEK cells using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))		BDBM50189305
PNG
(CHEMBL3828410)
Show SMILES NC(=N)c1ccc(NC(=O)C(=O)Nc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C16H16N6O2/c17-13(18)9-1-5-11(6-2-9)21-15(23)16(24)22-12-7-3-10(4-8-12)14(19)20/h1-8H,(H3,17,18)(H3,19,20)(H,21,23)(H,22,24)
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 6.23E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase-2 transfected in HEK cells using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50189308
PNG
(CHEMBL269032)
Show SMILES NC(=N)c1ccc(cc1)N1CCCN(CC1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C19H24N6/c20-18(21)14-2-6-16(7-3-14)24-10-1-11-25(13-12-24)17-8-4-15(5-9-17)19(22)23/h2-9H,1,10-13H2,(H3,20,21)(H3,22,23)
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 7.83E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of bovine factor 10a using Boc-Ile-Glu-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50189309
PNG
(CHEMBL9126)
Show SMILES NC(=N)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H22N6/c19-17(20)13-1-5-15(6-2-13)23-9-11-24(12-10-23)16-7-3-14(4-8-16)18(21)22/h1-8H,9-12H2,(H3,19,20)(H3,21,22)
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 1.01E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using Cbz-Gly-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50189311
PNG
(4,4''-(1,2-Phenylenebis(Methylene))Bis(Oxy)Dibenzi...)
Show SMILES NC(=N)c1ccc(OCc2ccccc2COc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)15-5-9-19(10-6-15)27-13-17-3-1-2-4-18(17)14-28-20-11-7-16(8-12-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
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 1.37E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of bovine factor 10a using Boc-Ile-Glu-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50189305
PNG
(CHEMBL3828410)
Show SMILES NC(=N)c1ccc(NC(=O)C(=O)Nc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C16H16N6O2/c17-13(18)9-1-5-11(6-2-9)21-15(23)16(24)22-12-7-3-10(4-8-12)14(19)20/h1-8H,(H3,17,18)(H3,19,20)(H,21,23)(H,22,24)
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 1.58E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using Cbz-Gly-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50189309
PNG
(CHEMBL9126)
Show SMILES NC(=N)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H22N6/c19-17(20)13-1-5-15(6-2-13)23-9-11-24(12-10-23)16-7-3-14(4-8-16)18(21)22/h1-8H,9-12H2,(H3,19,20)(H3,21,22)
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 2.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of bovine factor 10a using Boc-Ile-Glu-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50189305
PNG
(CHEMBL3828410)
Show SMILES NC(=N)c1ccc(NC(=O)C(=O)Nc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C16H16N6O2/c17-13(18)9-1-5-11(6-2-9)21-15(23)16(24)22-12-7-3-10(4-8-12)14(19)20/h1-8H,(H3,17,18)(H3,19,20)(H,21,23)(H,22,24)
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 5.23E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of bovine factor 10a using Boc-Ile-Glu-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%