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Compile Data Set for Download or QSAR

Found 129 hits with Last Name = 'truss' and Initial = 'jw'   
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))
BDBM50158159
PNG
(CHEMBL3780036)
Show SMILES NC(=N)c1cccc(c1)N1CC(COCc2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1/C32H39N5O2/c33-31(34)29-12-7-13-30(18-29)37-22-28(24-39-23-27-10-5-2-6-11-27)21-36(32(37)38)20-26-14-16-35(17-15-26)19-25-8-3-1-4-9-25/h1-13,18,26,28H,14-17,19-24H2,(H3,33,34)
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100n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50158155
PNG
(CHEMBL3781354)
Show SMILES NC(=N)c1cccc(c1)N1CC(CO)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1/C25H33N5O2/c26-24(27)22-7-4-8-23(13-22)30-17-21(18-31)16-29(25(30)32)15-20-9-11-28(12-10-20)14-19-5-2-1-3-6-19/h1-8,13,20-21,31H,9-12,14-18H2,(H3,26,27)
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150n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50158157
PNG
(CHEMBL3780434)
Show SMILES COCC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C26H35N5O2/c1-33-19-22-17-30(26(32)31(18-22)24-9-5-8-23(14-24)25(27)28)16-21-10-12-29(13-11-21)15-20-6-3-2-4-7-20/h2-9,14,21-22H,10-13,15-19H2,1H3,(H3,27,28)
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160n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepatocyte growth factor activator using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50158159
PNG
(CHEMBL3780036)
Show SMILES NC(=N)c1cccc(c1)N1CC(COCc2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1/C32H39N5O2/c33-31(34)29-12-7-13-30(18-29)37-22-28(24-39-23-27-10-5-2-6-11-27)21-36(32(37)38)20-26-14-16-35(17-15-26)19-25-8-3-1-4-9-25/h1-13,18,26,28H,14-17,19-24H2,(H3,33,34)
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180n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 10a using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50158157
PNG
(CHEMBL3780434)
Show SMILES COCC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C26H35N5O2/c1-33-19-22-17-30(26(32)31(18-22)24-9-5-8-23(14-24)25(27)28)16-21-10-12-29(13-11-21)15-20-6-3-2-4-7-20/h2-9,14,21-22H,10-13,15-19H2,1H3,(H3,27,28)
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200n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 10a using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50158154
PNG
(CHEMBL3781784)
Show SMILES NC(=N)c1cccc(c1)N1CC(O)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1/C24H31N5O2/c25-23(26)20-7-4-8-21(13-20)29-17-22(30)16-28(24(29)31)15-19-9-11-27(12-10-19)14-18-5-2-1-3-6-18/h1-8,13,19,22,30H,9-12,14-17H2,(H3,25,26)
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210n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50158157
PNG
(CHEMBL3780434)
Show SMILES COCC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C26H35N5O2/c1-33-19-22-17-30(26(32)31(18-22)24-9-5-8-23(14-24)25(27)28)16-21-10-12-29(13-11-21)15-20-6-3-2-4-7-20/h2-9,14,21-22H,10-13,15-19H2,1H3,(H3,27,28)
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210n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50158155
PNG
(CHEMBL3781354)
Show SMILES NC(=N)c1cccc(c1)N1CC(CO)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1/C25H33N5O2/c26-24(27)22-7-4-8-23(13-22)30-17-21(18-31)16-29(25(30)32)15-20-9-11-28(12-10-20)14-19-5-2-1-3-6-19/h1-8,13,20-21,31H,9-12,14-18H2,(H3,26,27)
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230n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepatocyte growth factor activator using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50158160
PNG
(CHEMBL3780584)
Show SMILES CC1CN(C2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C24H31N5O/c1-18-15-28(21-10-12-27(13-11-21)17-19-6-3-2-4-7-19)24(30)29(16-18)22-9-5-8-20(14-22)23(25)26/h2-9,14,18,21H,10-13,15-17H2,1H3,(H3,25,26)
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240n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 10a using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50158155
PNG
(CHEMBL3781354)
Show SMILES NC(=N)c1cccc(c1)N1CC(CO)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1/C25H33N5O2/c26-24(27)22-7-4-8-23(13-22)30-17-21(18-31)16-29(25(30)32)15-20-9-11-28(12-10-20)14-19-5-2-1-3-6-19/h1-8,13,20-21,31H,9-12,14-18H2,(H3,26,27)
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250n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 10a using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50158154
PNG
(CHEMBL3781784)
Show SMILES NC(=N)c1cccc(c1)N1CC(O)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1/C24H31N5O2/c25-23(26)20-7-4-8-21(13-20)29-17-22(30)16-28(24(29)31)15-19-9-11-27(12-10-19)14-18-5-2-1-3-6-18/h1-8,13,19,22,30H,9-12,14-17H2,(H3,25,26)
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280n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matripase catalytic domain using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50158152
PNG
(CHEMBL3780269)
Show SMILES NC(=N)c1cccc(c1)N1CC(CNC(=O)Cc2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1/C33H40N6O2/c34-32(35)29-12-7-13-30(19-29)39-24-28(20-36-31(40)18-25-8-3-1-4-9-25)23-38(33(39)41)22-27-14-16-37(17-15-27)21-26-10-5-2-6-11-26/h1-13,19,27-28H,14-18,20-24H2,(H3,34,35)(H,36,40)
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310n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50158101
PNG
(CHEMBL3781673)
Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1/C31H38N6O3S/c32-30(33)27-12-7-13-29(18-27)37-22-28(34-41(39,40)23-26-10-5-2-6-11-26)21-36(31(37)38)20-25-14-16-35(17-15-25)19-24-8-3-1-4-9-24/h1-13,18,25,28,34H,14-17,19-23H2,(H3,32,33)
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310n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50158151
PNG
(CHEMBL3780273)
Show SMILES CS(=O)(=O)NC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C25H34N6O3S/c1-35(33,34)28-22-17-30(25(32)31(18-22)23-9-5-8-21(14-23)24(26)27)16-20-10-12-29(13-11-20)15-19-6-3-2-4-7-19/h2-9,14,20,22,28H,10-13,15-18H2,1H3,(H3,26,27)
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330n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matripase catalytic domain using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50158161
PNG
(CHEMBL3781405)
Show SMILES NC(=N)c1cccc(c1)N1CC(CNC(=O)c2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1/C32H38N6O2/c33-30(34)28-12-7-13-29(18-28)38-23-26(19-35-31(39)27-10-5-2-6-11-27)22-37(32(38)40)21-25-14-16-36(17-15-25)20-24-8-3-1-4-9-24/h1-13,18,25-26H,14-17,19-23H2,(H3,33,34)(H,35,39)
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330n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50158150
PNG
(CHEMBL3780005)
Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1/C30H36N6O3S/c31-29(32)25-10-7-11-27(18-25)36-22-26(33-40(38,39)28-12-5-2-6-13-28)21-35(30(36)37)20-24-14-16-34(17-15-24)19-23-8-3-1-4-9-23/h1-13,18,24,26,33H,14-17,19-22H2,(H3,31,32)
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340n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50158151
PNG
(CHEMBL3780273)
Show SMILES CS(=O)(=O)NC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C25H34N6O3S/c1-35(33,34)28-22-17-30(25(32)31(18-22)23-9-5-8-21(14-23)24(26)27)16-20-10-12-29(13-11-20)15-19-6-3-2-4-7-19/h2-9,14,20,22,28H,10-13,15-18H2,1H3,(H3,26,27)
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350n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepatocyte growth factor activator using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50158101
PNG
(CHEMBL3781673)
Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1/C31H38N6O3S/c32-30(33)27-12-7-13-29(18-27)37-22-28(34-41(39,40)23-26-10-5-2-6-11-26)21-36(31(37)38)20-25-14-16-35(17-15-25)19-24-8-3-1-4-9-24/h1-13,18,25,28,34H,14-17,19-23H2,(H3,32,33)
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350n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matripase catalytic domain using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50158153
PNG
(CHEMBL3780548)
Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)NC(=O)Cc1ccccc1
Show InChI InChI=1/C32H38N6O2/c33-31(34)27-12-7-13-29(19-27)38-23-28(35-30(39)18-24-8-3-1-4-9-24)22-37(32(38)40)21-26-14-16-36(17-15-26)20-25-10-5-2-6-11-25/h1-13,19,26,28H,14-18,20-23H2,(H3,33,34)(H,35,39)
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380n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepatocyte growth factor activator using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50157632
PNG
(CHEMBL3781349)
Show SMILES CC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C25H33N5O/c1-19-15-29(25(31)30(16-19)23-9-5-8-22(14-23)24(26)27)18-21-10-12-28(13-11-21)17-20-6-3-2-4-7-20/h2-9,14,19,21H,10-13,15-18H2,1H3,(H3,26,27)
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380n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 10a using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50158154
PNG
(CHEMBL3781784)
Show SMILES NC(=N)c1cccc(c1)N1CC(O)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1/C24H31N5O2/c25-23(26)20-7-4-8-21(13-20)29-17-22(30)16-28(24(29)31)15-19-9-11-27(12-10-19)14-18-5-2-1-3-6-18/h1-8,13,19,22,30H,9-12,14-17H2,(H3,25,26)
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390n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50157633
PNG
(CHEMBL3779949)
Show SMILES CC1CN(CCC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C26H35N5O/c1-20-17-30(26(32)31(18-20)24-9-5-8-23(16-24)25(27)28)15-12-21-10-13-29(14-11-21)19-22-6-3-2-4-7-22/h2-9,16,20-21H,10-15,17-19H2,1H3,(H3,27,28)
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400n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 10a using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50158151
PNG
(CHEMBL3780273)
Show SMILES CS(=O)(=O)NC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C25H34N6O3S/c1-35(33,34)28-22-17-30(25(32)31(18-22)23-9-5-8-21(14-23)24(26)27)16-20-10-12-29(13-11-20)15-19-6-3-2-4-7-19/h2-9,14,20,22,28H,10-13,15-18H2,1H3,(H3,26,27)
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420n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50158159
PNG
(CHEMBL3780036)
Show SMILES NC(=N)c1cccc(c1)N1CC(COCc2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1/C32H39N5O2/c33-31(34)29-12-7-13-30(18-29)37-22-28(24-39-23-27-10-5-2-6-11-27)21-36(32(37)38)20-26-14-16-35(17-15-26)19-25-8-3-1-4-9-25/h1-13,18,26,28H,14-17,19-24H2,(H3,33,34)
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430n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepatocyte growth factor activator using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50157632
PNG
(CHEMBL3781349)
Show SMILES CC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C25H33N5O/c1-19-15-29(25(31)30(16-19)23-9-5-8-22(14-23)24(26)27)18-21-10-12-28(13-11-21)17-20-6-3-2-4-7-20/h2-9,14,19,21H,10-13,15-18H2,1H3,(H3,26,27)
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430n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50158101
PNG
(CHEMBL3781673)
Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1/C31H38N6O3S/c32-30(33)27-12-7-13-29(18-27)37-22-28(34-41(39,40)23-26-10-5-2-6-11-26)21-36(31(37)38)20-25-14-16-35(17-15-25)19-24-8-3-1-4-9-24/h1-13,18,25,28,34H,14-17,19-23H2,(H3,32,33)
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440n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepatocyte growth factor activator using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50158161
PNG
(CHEMBL3781405)
Show SMILES NC(=N)c1cccc(c1)N1CC(CNC(=O)c2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1/C32H38N6O2/c33-30(34)28-12-7-13-29(18-28)38-23-26(19-35-31(39)27-10-5-2-6-11-27)22-37(32(38)40)21-25-14-16-36(17-15-25)20-24-8-3-1-4-9-24/h1-13,18,25-26H,14-17,19-23H2,(H3,33,34)(H,35,39)
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470n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matripase catalytic domain using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50157632
PNG
(CHEMBL3781349)
Show SMILES CC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C25H33N5O/c1-19-15-29(25(31)30(16-19)23-9-5-8-22(14-23)24(26)27)18-21-10-12-28(13-11-21)17-20-6-3-2-4-7-20/h2-9,14,19,21H,10-13,15-18H2,1H3,(H3,26,27)
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480n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepatocyte growth factor activator using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50158153
PNG
(CHEMBL3780548)
Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)NC(=O)Cc1ccccc1
Show InChI InChI=1/C32H38N6O2/c33-31(34)27-12-7-13-29(19-27)38-23-28(35-30(39)18-24-8-3-1-4-9-24)22-37(32(38)40)21-26-14-16-36(17-15-26)20-25-10-5-2-6-11-25/h1-13,19,26,28H,14-18,20-23H2,(H3,33,34)(H,35,39)
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500n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Compound was evaluated for potency towards nicotinic acetylcholine receptor in rat P2 brain membranes using [3H]-nicotine as a radioligand


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50158151
PNG
(CHEMBL3780273)
Show SMILES CS(=O)(=O)NC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C25H34N6O3S/c1-35(33,34)28-22-17-30(25(32)31(18-22)23-9-5-8-21(14-23)24(26)27)16-20-10-12-29(13-11-20)15-19-6-3-2-4-7-19/h2-9,14,20,22,28H,10-13,15-18H2,1H3,(H3,26,27)
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510n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 10a using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50157633
PNG
(CHEMBL3779949)
Show SMILES CC1CN(CCC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C26H35N5O/c1-20-17-30(26(32)31(18-20)24-9-5-8-23(16-24)25(27)28)15-12-21-10-13-29(14-11-21)19-22-6-3-2-4-7-22/h2-9,16,20-21H,10-15,17-19H2,1H3,(H3,27,28)
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510n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matripase catalytic domain using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50158150
PNG
(CHEMBL3780005)
Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1/C30H36N6O3S/c31-29(32)25-10-7-11-27(18-25)36-22-26(33-40(38,39)28-12-5-2-6-13-28)21-35(30(36)37)20-24-14-16-34(17-15-24)19-23-8-3-1-4-9-23/h1-13,18,24,26,33H,14-17,19-22H2,(H3,31,32)
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520n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matripase catalytic domain using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50158150
PNG
(CHEMBL3780005)
Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1/C30H36N6O3S/c31-29(32)25-10-7-11-27(18-25)36-22-26(33-40(38,39)28-12-5-2-6-13-28)21-35(30(36)37)20-24-14-16-34(17-15-24)19-23-8-3-1-4-9-23/h1-13,18,24,26,33H,14-17,19-22H2,(H3,31,32)
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520n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepatocyte growth factor activator using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50157632
PNG
(CHEMBL3781349)
Show SMILES CC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C25H33N5O/c1-19-15-29(25(31)30(16-19)23-9-5-8-22(14-23)24(26)27)18-21-10-12-28(13-11-21)17-20-6-3-2-4-7-20/h2-9,14,19,21H,10-13,15-18H2,1H3,(H3,26,27)
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530n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matripase catalytic domain using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50158101
PNG
(CHEMBL3781673)
Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1/C31H38N6O3S/c32-30(33)27-12-7-13-29(18-27)37-22-28(34-41(39,40)23-26-10-5-2-6-11-26)21-36(31(37)38)20-25-14-16-35(17-15-25)19-24-8-3-1-4-9-24/h1-13,18,25,28,34H,14-17,19-23H2,(H3,32,33)
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530n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50157632
PNG
(CHEMBL3781349)
Show SMILES CC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C25H33N5O/c1-19-15-29(25(31)30(16-19)23-9-5-8-22(14-23)24(26)27)18-21-10-12-28(13-11-21)17-20-6-3-2-4-7-20/h2-9,14,19,21H,10-13,15-18H2,1H3,(H3,26,27)
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540n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50158158
PNG
(CHEMBL3780208)
Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)OCc1ccccc1
Show InChI InChI=1/C31H37N5O2/c32-30(33)27-12-7-13-28(18-27)36-22-29(38-23-26-10-5-2-6-11-26)21-35(31(36)37)20-25-14-16-34(17-15-25)19-24-8-3-1-4-9-24/h1-13,18,25,29H,14-17,19-23H2,(H3,32,33)
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550n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50158159
PNG
(CHEMBL3780036)
Show SMILES NC(=N)c1cccc(c1)N1CC(COCc2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1/C32H39N5O2/c33-31(34)29-12-7-13-30(18-29)37-22-28(24-39-23-27-10-5-2-6-11-27)21-36(32(37)38)20-26-14-16-35(17-15-26)19-25-8-3-1-4-9-25/h1-13,18,26,28H,14-17,19-24H2,(H3,33,34)
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560n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50158155
PNG
(CHEMBL3781354)
Show SMILES NC(=N)c1cccc(c1)N1CC(CO)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1/C25H33N5O2/c26-24(27)22-7-4-8-23(13-22)30-17-21(18-31)16-29(25(30)32)15-20-9-11-28(12-10-20)14-19-5-2-1-3-6-19/h1-8,13,20-21,31H,9-12,14-18H2,(H3,26,27)
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580n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity towards nicotinic acetylcholine receptor in rat P2 brain membranes using [3H]-nicotine as a radioligan...


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50158152
PNG
(CHEMBL3780269)
Show SMILES NC(=N)c1cccc(c1)N1CC(CNC(=O)Cc2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1/C33H40N6O2/c34-32(35)29-12-7-13-30(19-29)39-24-28(20-36-31(40)18-25-8-3-1-4-9-25)23-38(33(39)41)22-27-14-16-37(17-15-27)21-26-10-5-2-6-11-26/h1-13,19,27-28H,14-18,20-24H2,(H3,34,35)(H,36,40)
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590n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50158150
PNG
(CHEMBL3780005)
Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1/C30H36N6O3S/c31-29(32)25-10-7-11-27(18-25)36-22-26(33-40(38,39)28-12-5-2-6-13-28)21-35(30(36)37)20-24-14-16-34(17-15-24)19-23-8-3-1-4-9-23/h1-13,18,24,26,33H,14-17,19-22H2,(H3,31,32)
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610n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 10a using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50158101
PNG
(CHEMBL3781673)
Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1/C31H38N6O3S/c32-30(33)27-12-7-13-29(18-27)37-22-28(34-41(39,40)23-26-10-5-2-6-11-26)21-36(31(37)38)20-25-14-16-35(17-15-25)19-24-8-3-1-4-9-24/h1-13,18,25,28,34H,14-17,19-23H2,(H3,32,33)
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660n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 10a using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50158150
PNG
(CHEMBL3780005)
Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1/C30H36N6O3S/c31-29(32)25-10-7-11-27(18-25)36-22-26(33-40(38,39)28-12-5-2-6-13-28)21-35(30(36)37)20-24-14-16-34(17-15-24)19-23-8-3-1-4-9-23/h1-13,18,24,26,33H,14-17,19-22H2,(H3,31,32)
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670n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50158155
PNG
(CHEMBL3781354)
Show SMILES NC(=N)c1cccc(c1)N1CC(CO)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1/C25H33N5O2/c26-24(27)22-7-4-8-23(13-22)30-17-21(18-31)16-29(25(30)32)15-20-9-11-28(12-10-20)14-19-5-2-1-3-6-19/h1-8,13,20-21,31H,9-12,14-18H2,(H3,26,27)
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690n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50158151
PNG
(CHEMBL3780273)
Show SMILES CS(=O)(=O)NC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C25H34N6O3S/c1-35(33,34)28-22-17-30(25(32)31(18-22)23-9-5-8-21(14-23)24(26)27)16-20-10-12-29(13-11-20)15-19-6-3-2-4-7-19/h2-9,14,20,22,28H,10-13,15-18H2,1H3,(H3,26,27)
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720n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50158153
PNG
(CHEMBL3780548)
Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)NC(=O)Cc1ccccc1
Show InChI InChI=1/C32H38N6O2/c33-31(34)27-12-7-13-29(19-27)38-23-28(35-30(39)18-24-8-3-1-4-9-24)22-37(32(38)40)21-26-14-16-36(17-15-26)20-25-10-5-2-6-11-25/h1-13,19,26,28H,14-18,20-23H2,(H3,33,34)(H,35,39)
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740n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 10a using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50158161
PNG
(CHEMBL3781405)
Show SMILES NC(=N)c1cccc(c1)N1CC(CNC(=O)c2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1/C32H38N6O2/c33-30(34)28-12-7-13-29(18-28)38-23-26(19-35-31(39)27-10-5-2-6-11-27)22-37(32(38)40)21-25-14-16-36(17-15-25)20-24-8-3-1-4-9-24/h1-13,18,25-26H,14-17,19-23H2,(H3,33,34)(H,35,39)
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750n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 10a using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50158156
PNG
(CHEMBL3781626)
Show SMILES COC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C25H33N5O2/c1-32-23-17-29(25(31)30(18-23)22-9-5-8-21(14-22)24(26)27)16-20-10-12-28(13-11-20)15-19-6-3-2-4-7-19/h2-9,14,20,23H,10-13,15-18H2,1H3,(H3,26,27)
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760n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50158156
PNG
(CHEMBL3781626)
Show SMILES COC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C25H33N5O2/c1-32-23-17-29(25(31)30(18-23)22-9-5-8-21(14-22)24(26)27)16-20-10-12-28(13-11-20)15-19-6-3-2-4-7-19/h2-9,14,20,23H,10-13,15-18H2,1H3,(H3,26,27)
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760n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50158158
PNG
(CHEMBL3780208)
Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)OCc1ccccc1
Show InChI InChI=1/C31H37N5O2/c32-30(33)27-12-7-13-28(18-27)36-22-29(38-23-26-10-5-2-6-11-26)21-35(31(36)37)20-25-14-16-34(17-15-25)19-24-8-3-1-4-9-24/h1-13,18,25,29H,14-17,19-23H2,(H3,32,33)
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760n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
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