BindingDB logo
myBDB logout

PubMed code 15771442

Compile data set for download or QSAR
Found 154 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
Prothrombin


(Homo sapiens (Human))
BDBM14073
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Show SMILES [#6]-[#7]-[#6@H](-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C34H39N7O3S/c1-37-29(28(22-12-4-2-5-13-22)23-14-6-3-7-15-23)33(44)41-21-11-18-26(41)31(43)39-25(17-10-20-38-34(35)36)30(42)32-40-24-16-8-9-19-27(24)45-32/h2-9,12-16,19,25-26,28-29,37H,10-11,17-18,20-21H2,1H3,(H,39,43)(H4,35,36,38)/t25-,26-,29+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.000650 -72.4 4.5n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14065
PNG
((2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[1-(1,3-...)
Show SMILES [#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C27H33N7O3S/c28-18(16-17-8-2-1-3-9-17)26(37)34-15-7-12-21(34)24(36)32-20(11-6-14-31-27(29)30)23(35)25-33-19-10-4-5-13-22(19)38-25/h1-5,8-10,13,18,20-21H,6-7,11-12,14-16,28H2,(H,32,36)(H4,29,30,31)/t18-,20?,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00550 -66.9 21n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14127
PNG
(2-(5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(methylami...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(cc2s1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C29H36N8O4S/c1-33-21(15-17-7-3-2-4-8-17)28(41)37-14-6-10-22(37)26(40)35-20(9-5-13-34-29(31)32)24(38)27-36-19-12-11-18(25(30)39)16-23(19)42-27/h2-4,7-8,11-12,16,20-22,33H,5-6,9-10,13-15H2,1H3,(H2,30,39)(H,35,40)(H4,31,32,34)/t20?,21-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00700n/a 5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14076
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C27H39N7O3S/c1-30-22(17-9-3-2-4-10-17)26(37)34-16-8-13-20(34)24(36)32-19(12-7-15-31-27(28)29)23(35)25-33-18-11-5-6-14-21(18)38-25/h5-6,11,14,17,19-20,22,30H,2-4,7-10,12-13,15-16H2,1H3,(H,32,36)(H4,28,29,31)/t19-,20-,22+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0180 -63.8 5.30n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14066
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H34FN7O3S/c1-32-21(16-17-10-12-18(29)13-11-17)27(39)36-15-5-8-22(36)25(38)34-20(7-4-14-33-28(30)31)24(37)26-35-19-6-2-3-9-23(19)40-26/h2-3,6,9-13,20-22,32H,4-5,7-8,14-16H2,1H3,(H,34,38)(H4,30,31,33)/t20?,21-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.120 -58.9 15n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14123
PNG
((2S)-N-[5-carbamimidamido-1-(6-methoxy-1,3-benzoth...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(-[#8]-[#6])cc2s1 |r|
Show InChI InChI=1S/C29H37N7O4S/c1-32-22(16-18-8-4-3-5-9-18)28(39)36-15-7-11-23(36)26(38)34-21(10-6-14-33-29(30)31)25(37)27-35-20-13-12-19(40-2)17-24(20)41-27/h3-5,8-9,12-13,17,21-23,32H,6-7,10-11,14-16H2,1-2H3,(H,34,38)(H4,30,31,33)/t21?,22-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.140n/a 5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14125
PNG
((2S)-N-[5-carbamimidamido-1-(6-fluoro-1,3-benzothi...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(F)cc2s1 |r|
Show InChI InChI=1S/C28H34FN7O3S/c1-32-21(15-17-7-3-2-4-8-17)27(39)36-14-6-10-22(36)25(38)34-20(9-5-13-33-28(30)31)24(37)26-35-19-12-11-18(29)16-23(19)40-26/h2-4,7-8,11-12,16,20-22,32H,5-6,9-10,13-15H2,1H3,(H,34,38)(H4,30,31,33)/t20?,21-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.150n/a 7.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14068
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H41N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h5-6,11,14,18,20-22,31H,2-4,7-10,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.180 -57.9 48n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14071
PNG
((2S)-1-(2-amino-2-benzylpropanoyl)-N-[1-(1,3-benzo...)
Show SMILES [#6]C([#7])([#6]-c1ccccc1)[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H35N7O3S/c1-28(31,17-18-9-3-2-4-10-18)26(38)35-16-8-13-21(35)24(37)33-20(12-7-15-32-27(29)30)23(36)25-34-19-11-5-6-14-22(19)39-25/h2-6,9-11,14,20-21H,7-8,12-13,15-17,31H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,28?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200 -57.6 3.5n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14063
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H35N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-6,9-11,14,20-22,31H,7-8,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.200 -57.6 29n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14124
PNG
((2S)-N-[5-carbamimidamido-1-(6-hydroxy-1,3-benzoth...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(-[#8])cc2s1 |r|
Show InChI InChI=1S/C28H35N7O4S/c1-31-21(15-17-7-3-2-4-8-17)27(39)35-14-6-10-22(35)25(38)33-20(9-5-13-32-28(29)30)24(37)26-34-19-12-11-18(36)16-23(19)40-26/h2-4,7-8,11-12,16,20-22,31,36H,5-6,9-10,13-15H2,1H3,(H,33,38)(H4,29,30,32)/t20?,21-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.230n/a 3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14065
PNG
((2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[1-(1,3-...)
Show SMILES [#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C27H33N7O3S/c28-18(16-17-8-2-1-3-9-17)26(37)34-15-7-12-21(34)24(36)32-20(11-6-14-31-27(29)30)23(35)25-33-19-10-4-5-13-22(19)38-25/h1-5,8-10,13,18,20-21H,6-7,11-12,14-16,28H2,(H,32,36)(H4,29,30,31)/t18-,20?,21+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14127
PNG
(2-(5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(methylami...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(cc2s1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C29H36N8O4S/c1-33-21(15-17-7-3-2-4-8-17)28(41)37-14-6-10-22(37)26(40)35-20(9-5-13-34-29(31)32)24(38)27-36-19-12-11-18(25(30)39)16-23(19)42-27/h2-4,7-8,11-12,16,20-22,33H,5-6,9-10,13-15H2,1H3,(H2,30,39)(H,35,40)(H4,31,32,34)/t20?,21-,22+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14086
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C29H37N7O3S/c1-32-22(18-19-10-3-2-4-11-19)28(39)36-17-8-7-14-23(36)26(38)34-21(13-9-16-33-29(30)31)25(37)27-35-20-12-5-6-15-24(20)40-27/h2-6,10-12,15,21-23,32H,7-9,13-14,16-18H2,1H3,(H,34,38)(H4,30,31,33)/t21?,22-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.340n/a 38n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14072
PNG
(2-ketobenzothiazole 12 | 2-{[(2R)-1-[(2S)-2-{[1-(1...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6]-[#6](-[#8])=O)-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C29H41N7O5S/c30-29(31)32-14-6-11-20(25(39)27-35-19-10-4-5-13-23(19)42-27)34-26(40)22-12-7-15-36(22)28(41)21(33-17-24(37)38)16-18-8-2-1-3-9-18/h4-5,10,13,18,20-22,33H,1-3,6-9,11-12,14-17H2,(H,34,40)(H,37,38)(H4,30,31,32)/t20?,21-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.360 -56.1 29n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14126
PNG
((2S)-N-{5-carbamimidamido-1-[6-(hydroxymethyl)-1,3...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(-[#6]-[#8])cc2s1 |r|
Show InChI InChI=1S/C29H37N7O4S/c1-32-22(15-18-7-3-2-4-8-18)28(40)36-14-6-10-23(36)26(39)34-21(9-5-13-33-29(30)31)25(38)27-35-20-12-11-19(17-37)16-24(20)41-27/h2-4,7-8,11-12,16,21-23,32,37H,5-6,9-10,13-15,17H2,1H3,(H,34,39)(H4,30,31,33)/t21?,22-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.370n/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14075
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H33N7O3S/c1-30-22(17-9-3-2-4-10-17)26(37)34-16-8-13-20(34)24(36)32-19(12-7-15-31-27(28)29)23(35)25-33-18-11-5-6-14-21(18)38-25/h2-6,9-11,14,19-20,22,30H,7-8,12-13,15-16H2,1H3,(H,32,36)(H4,28,29,31)/t19?,20-,22+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.460 -55.4 34n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14122
PNG
((2S)-N-(5-carbamimidamido-1-oxo-1-{3-thia-5-azatri...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc3ccccc3c2s1 |r|
Show InChI InChI=1S/C32H37N7O3S/c1-35-25(19-20-9-3-2-4-10-20)31(42)39-18-8-14-26(39)29(41)37-23(13-7-17-36-32(33)34)27(40)30-38-24-16-15-21-11-5-6-12-22(21)28(24)43-30/h2-6,9-12,15-16,23,25-26,35H,7-8,13-14,17-19H2,1H3,(H,37,41)(H4,33,34,36)/t23?,25-,26+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.580n/a 60n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14139
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]S(=O)(=O)c1cccc2ccccc12)-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C31H35N7O6S2/c32-31(33)34-16-6-12-22(27(40)29-36-21-11-3-4-14-25(21)45-29)35-28(41)24-13-7-17-38(24)30(42)23(18-39)37-46(43,44)26-15-5-9-19-8-1-2-10-20(19)26/h1-5,8-11,14-15,22-24,37,39H,6-7,12-13,16-18H2,(H,35,41)(H4,32,33,34)/t22-,23-,24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.780n/a 110n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14092
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-3-(3-carbam...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H34N6O3S/c1-35-25(18-20-9-3-2-4-10-20)32(41)38-16-8-14-26(38)30(40)36-24(19-21-11-7-12-22(17-21)29(33)34)28(39)31-37-23-13-5-6-15-27(23)42-31/h2-7,9-13,15,17,24-26,35H,8,14,16,18-19H2,1H3,(H3,33,34)(H,36,40)/t24-,25+,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.990n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14074
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C33H36N6O3S/c34-33(35)36-19-9-16-26(30(41)32-38-25-15-7-8-18-28(25)43-32)37-31(42)27-17-10-20-39(27)29(40)21-24(22-11-3-1-4-12-22)23-13-5-2-6-14-23/h1-8,11-15,18,24,26-27H,9-10,16-17,19-21H2,(H,37,42)(H4,34,35,36)/t26?,27-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.10 -53.2 11n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14076
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C27H39N7O3S/c1-30-22(17-9-3-2-4-10-17)26(37)34-16-8-13-20(34)24(36)32-19(12-7-15-31-27(28)29)23(35)25-33-18-11-5-6-14-21(18)38-25/h5-6,11,14,17,19-20,22,30H,2-4,7-10,12-13,15-16H2,1H3,(H,32,36)(H4,28,29,31)/t19-,20-,22+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14117
PNG
((2S)-N-[5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-y...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
Show InChI InChI=1S/C24H33N7O3S/c1-27-18(15-16-7-3-2-4-8-16)23(34)31-13-6-10-19(31)21(33)30-17(9-5-11-29-24(25)26)20(32)22-28-12-14-35-22/h2-4,7-8,12,14,17-19,27H,5-6,9-11,13,15H2,1H3,(H,30,33)(H4,25,26,29)/t17?,18-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14128
PNG
(2-ketobenzothiazole 68 | methyl 2-(5-carbamimidami...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(cc2s1)-[#6](=O)-[#8]-[#6] |r|
Show InChI InChI=1S/C30H37N7O5S/c1-33-22(16-18-8-4-3-5-9-18)28(40)37-15-7-11-23(37)26(39)35-21(10-6-14-34-30(31)32)25(38)27-36-20-13-12-19(29(41)42-2)17-24(20)43-27/h3-5,8-9,12-13,17,21-23,33H,6-7,10-11,14-16H2,1-2H3,(H,35,39)(H4,31,32,34)/t21?,22-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/a 38n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14137
PNG
(2-ketobenzothiazole 75 | methyl (3S)-4-[(2S)-2-{[(...)
Show SMILES [#6]-[#6]-[#6]-[#6](-[#6]-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](=O)-[#8]-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C31H45N7O6S/c1-4-10-19(11-5-2)27(41)36-22(18-25(39)44-3)30(43)38-17-9-14-23(38)28(42)35-21(13-8-16-34-31(32)33)26(40)29-37-20-12-6-7-15-24(20)45-29/h6-7,12,15,19,21-23H,4-5,8-11,13-14,16-18H2,1-3H3,(H,35,42)(H,36,41)(H4,32,33,34)/t21-,22-,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/a 56n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14138
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Show SMILES [#6]S(=O)(=O)[#6]-[#6]-[#6@H](-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C30H39N7O7S3/c1-46(41,42)18-15-23(36-47(43,44)19-20-9-3-2-4-10-20)29(40)37-17-8-13-24(37)27(39)34-22(12-7-16-33-30(31)32)26(38)28-35-21-11-5-6-14-25(21)45-28/h2-6,9-11,14,22-24,36H,7-8,12-13,15-19H2,1H3,(H,34,39)(H4,31,32,33)/t22-,23-,24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.5n/a 95n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14085
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H37N7O3S/c1-17(2)23(35-25(37)21(31-3)16-18-10-5-4-6-11-18)26(38)33-20(13-9-15-32-28(29)30)24(36)27-34-19-12-7-8-14-22(19)39-27/h4-8,10-12,14,17,20-21,23,31H,9,13,15-16H2,1-3H3,(H,33,38)(H,35,37)(H4,29,30,32)/t20?,21-,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14125
PNG
((2S)-N-[5-carbamimidamido-1-(6-fluoro-1,3-benzothi...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(F)cc2s1 |r|
Show InChI InChI=1S/C28H34FN7O3S/c1-32-21(15-17-7-3-2-4-8-17)27(39)36-14-6-10-22(36)25(38)34-20(9-5-13-33-28(30)31)24(37)26-35-19-12-11-18(29)16-23(19)40-26/h2-4,7-8,11-12,16,20-22,32H,5-6,9-10,13-15H2,1H3,(H,34,38)(H4,30,31,33)/t20?,21-,22+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14094
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-3-[(3S)-1-c...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C[C@@H]1CCCN(C1)C(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C31H39N7O3S/c1-34-24(17-20-9-3-2-4-10-20)30(41)38-16-8-13-25(38)28(40)35-23(18-21-11-7-15-37(19-21)31(32)33)27(39)29-36-22-12-5-6-14-26(22)42-29/h2-6,9-10,12,14,21,23-25,34H,7-8,11,13,15-19H2,1H3,(H3,32,33)(H,35,40)/t21-,23-,24+,25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60n/a 51n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14092
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-3-(3-carbam...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H34N6O3S/c1-35-25(18-20-9-3-2-4-10-20)32(41)38-16-8-14-26(38)30(40)36-24(19-21-11-7-12-22(17-21)29(33)34)28(39)31-37-23-13-5-6-15-27(23)42-31/h2-7,9-13,15,17,24-26,35H,8,14,16,18-19H2,1H3,(H3,33,34)(H,36,40)/t24-,25+,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14078
PNG
((2S)-1-(2-amino-2,2-diphenylacetyl)-N-[1-(1,3-benz...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)C([#7])(c1ccccc1)c1ccccc1)-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H35N7O3S/c33-31(34)36-19-9-16-24(27(40)29-38-23-15-7-8-18-26(23)43-29)37-28(41)25-17-10-20-39(25)30(42)32(35,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-8,11-15,18,24-25H,9-10,16-17,19-20,35H2,(H,37,41)(H4,33,34,36)/t24?,25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14086
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C29H37N7O3S/c1-32-22(18-19-10-3-2-4-11-19)28(39)36-17-8-7-14-23(36)26(38)34-21(13-9-16-33-29(30)31)25(37)27-35-20-12-5-6-15-24(20)40-27/h2-6,10-12,15,21-23,32H,7-9,13-14,16-18H2,1H3,(H,34,38)(H4,30,31,33)/t21?,22-,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14129
PNG
(2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(meth...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccc(cc2s1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H35N7O5S/c1-32-21(15-17-7-3-2-4-8-17)27(39)36-14-6-10-22(36)25(38)34-20(9-5-13-33-29(30)31)24(37)26-35-19-12-11-18(28(40)41)16-23(19)42-26/h2-4,7-8,11-12,16,20-22,32H,5-6,9-10,13-15H2,1H3,(H,34,38)(H,40,41)(H4,30,31,33)/t20-,21+,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/a 45n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14079
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)C1([#8])c2ccccc2-c2ccccc12)-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H32N6O4S/c33-31(34)35-17-7-14-24(27(39)29-37-23-13-5-6-16-26(23)43-29)36-28(40)25-15-8-18-38(25)30(41)32(42)21-11-3-1-9-19(21)20-10-2-4-12-22(20)32/h1-6,9-13,16,24-25,42H,7-8,14-15,17-18H2,(H,36,40)(H4,33,34,35)/t24?,25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14123
PNG
((2S)-N-[5-carbamimidamido-1-(6-methoxy-1,3-benzoth...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(-[#8]-[#6])cc2s1 |r|
Show InChI InChI=1S/C29H37N7O4S/c1-32-22(16-18-8-4-3-5-9-18)28(39)36-15-7-11-23(36)26(38)34-21(10-6-14-33-29(30)31)25(37)27-35-20-13-12-19(40-2)17-24(20)41-27/h3-5,8-9,12-13,17,21-23,32H,6-7,10-11,14-16H2,1-2H3,(H,34,38)(H4,30,31,33)/t21?,22-,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14078
PNG
((2S)-1-(2-amino-2,2-diphenylacetyl)-N-[1-(1,3-benz...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)C([#7])(c1ccccc1)c1ccccc1)-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H35N7O3S/c33-31(34)36-19-9-16-24(27(40)29-38-23-15-7-8-18-26(23)43-29)37-28(41)25-17-10-20-39(25)30(42)32(35,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-8,11-15,18,24-25H,9-10,16-17,19-20,35H2,(H,37,41)(H4,33,34,36)/t24?,25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10 -51.5 15n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14117
PNG
((2S)-N-[5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-y...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
Show InChI InChI=1S/C24H33N7O3S/c1-27-18(15-16-7-3-2-4-8-16)23(34)31-13-6-10-19(31)21(33)30-17(9-5-11-29-24(25)26)20(32)22-28-12-14-35-22/h2-4,7-8,12,14,17-19,27H,5-6,9-11,13,15H2,1H3,(H,30,33)(H4,25,26,29)/t17?,18-,19+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.10n/a 19n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14069
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C29H35N7O4S/c1-18(37)33-22(17-19-9-3-2-4-10-19)28(40)36-16-8-13-23(36)26(39)34-21(12-7-15-32-29(30)31)25(38)27-35-20-11-5-6-14-24(20)41-27/h2-6,9-11,14,21-23H,7-8,12-13,15-17H2,1H3,(H,33,37)(H,34,39)(H4,30,31,32)/t21?,22-,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14077
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]C1([#6]-[#6]-[#6]-[#6]-[#6]1)[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C26H37N7O3S/c1-29-26(13-5-2-6-14-26)24(36)33-16-8-11-19(33)22(35)31-18(10-7-15-30-25(27)28)21(34)23-32-17-9-3-4-12-20(17)37-23/h3-4,9,12,18-19,29H,2,5-8,10-11,13-16H2,1H3,(H,31,35)(H4,27,28,30)/t18?,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14138
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Show SMILES [#6]S(=O)(=O)[#6]-[#6]-[#6@H](-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C30H39N7O7S3/c1-46(41,42)18-15-23(36-47(43,44)19-20-9-3-2-4-10-20)29(40)37-17-8-13-24(37)27(39)34-22(12-7-16-33-30(31)32)26(38)28-35-21-11-5-6-14-25(21)45-28/h2-6,9-11,14,22-24,36H,7-8,12-13,15-19H2,1H3,(H,34,39)(H4,31,32,33)/t22-,23-,24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14129
PNG
(2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(meth...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccc(cc2s1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H35N7O5S/c1-32-21(15-17-7-3-2-4-8-17)27(39)36-14-6-10-22(36)25(38)34-20(9-5-13-33-29(30)31)24(37)26-35-19-12-11-18(28(40)41)16-23(19)42-26/h2-4,7-8,11-12,16,20-22,32H,5-6,9-10,13-15H2,1H3,(H,34,38)(H,40,41)(H4,30,31,33)/t20-,21+,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14139
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]S(=O)(=O)c1cccc2ccccc12)-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C31H35N7O6S2/c32-31(33)34-16-6-12-22(27(40)29-36-21-11-3-4-14-25(21)45-29)35-28(41)24-13-7-17-38(24)30(42)23(18-39)37-46(43,44)26-15-5-9-19-8-1-2-10-20(19)26/h1-5,8-11,14-15,22-24,37,39H,6-7,12-13,16-18H2,(H,35,41)(H4,32,33,34)/t22-,23-,24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14063
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H35N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-6,9-11,14,20-22,31H,7-8,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,22+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.10n/a 30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14079
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)C1([#8])c2ccccc2-c2ccccc12)-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H32N6O4S/c33-31(34)35-17-7-14-24(27(39)29-37-23-13-5-6-16-26(23)43-29)36-28(40)25-15-8-18-38(25)30(41)32(42)21-11-3-1-9-19(21)20-10-2-4-12-22(20)32/h1-6,9-13,16,24-25,42H,7-8,14-15,17-18H2,(H,36,40)(H4,33,34,35)/t24?,25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.10n/a 95n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14066
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H34FN7O3S/c1-32-21(16-17-10-12-18(29)13-11-17)27(39)36-15-5-8-22(36)25(38)34-20(7-4-14-33-28(30)31)24(37)26-35-19-6-2-3-9-23(19)40-26/h2-3,6,9-13,20-22,32H,4-5,7-8,14-16H2,1H3,(H,34,38)(H4,30,31,33)/t20?,21-,22+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14121
PNG
((2S)-N-[5-carbamimidamido-1-oxo-1-(4,5,6,7-tetrahy...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2-[#6]-[#6]-[#6]-[#6]-c2s1 |r|
Show InChI InChI=1S/C28H39N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-4,9-10,20-22,31H,5-8,11-17H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40n/a 80n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14124
PNG
((2S)-N-[5-carbamimidamido-1-(6-hydroxy-1,3-benzoth...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(-[#8])cc2s1 |r|
Show InChI InChI=1S/C28H35N7O4S/c1-31-21(15-17-7-3-2-4-8-17)27(39)35-14-6-10-22(35)25(38)33-20(9-5-13-32-28(29)30)24(37)26-34-19-12-11-18(36)16-23(19)40-26/h2-4,7-8,11-12,16,20-22,31,36H,5-6,9-10,13-15H2,1H3,(H,33,38)(H4,29,30,32)/t20?,21-,22+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14080
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C20H26N6O3S/c1-12(27)26-11-5-8-15(26)18(29)24-14(7-4-10-23-20(21)22)17(28)19-25-13-6-2-3-9-16(13)30-19/h2-3,6,9,14-15H,4-5,7-8,10-11H2,1H3,(H,24,29)(H4,21,22,23)/t14?,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14067
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1c(F)c(F)c(F)c(F)c1F)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H30F5N7O3S/c1-36-16(12-13-19(29)21(31)23(33)22(32)20(13)30)27(43)40-11-5-8-17(40)25(42)38-15(7-4-10-37-28(34)35)24(41)26-39-14-6-2-3-9-18(14)44-26/h2-3,6,9,15-17,36H,4-5,7-8,10-12H2,1H3,(H,38,42)(H4,34,35,37)/t15?,16-,17+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.80 -50.0 150n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14071
PNG
((2S)-1-(2-amino-2-benzylpropanoyl)-N-[1-(1,3-benzo...)
Show SMILES [#6]C([#7])([#6]-c1ccccc1)[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H35N7O3S/c1-28(31,17-18-9-3-2-4-10-18)26(38)35-16-8-13-21(35)24(37)33-20(12-7-15-32-27(29)30)23(36)25-34-19-11-5-6-14-22(19)39-25/h2-6,9-11,14,20-21H,7-8,12-13,15-17,31H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,28?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14068
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H41N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h5-6,11,14,18,20-22,31H,2-4,7-10,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,22+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14097
PNG
((2S)-N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-o...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H35N5O3S/c1-30-22(18-19-10-3-2-4-11-19)28(36)33-17-9-14-23(33)26(35)31-21(13-7-8-16-29)25(34)27-32-20-12-5-6-15-24(20)37-27/h2-6,10-12,15,21-23,30H,7-9,13-14,16-18,29H2,1H3,(H,31,35)/t21-,22+,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14121
PNG
((2S)-N-[5-carbamimidamido-1-oxo-1-(4,5,6,7-tetrahy...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2-[#6]-[#6]-[#6]-[#6]-c2s1 |r|
Show InChI InChI=1S/C28H39N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-4,9-10,20-22,31H,5-8,11-17H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,22+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14119
PNG
(2-ketobenzothiazole 59 | ethyl 2-(5-carbamimidamid...)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-c1csc(n1)-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6] |r|
Show InChI InChI=1S/C27H37N7O5S/c1-3-39-26(38)20-16-40-24(33-20)22(35)18(11-7-13-31-27(28)29)32-23(36)21-12-8-14-34(21)25(37)19(30-2)15-17-9-5-4-6-10-17/h4-6,9-10,16,18-19,21,30H,3,7-8,11-15H2,1-2H3,(H,32,36)(H4,28,29,31)/t18?,19-,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.5n/a 120n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14120
PNG
(2-(5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(methylami...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc(cs1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C33H42N8O4S/c1-36-25(20-23-12-6-3-7-13-23)32(45)41-19-9-15-27(41)30(44)39-24(14-8-17-38-33(34)35)28(42)31-40-26(21-46-31)29(43)37-18-16-22-10-4-2-5-11-22/h2-7,10-13,21,24-25,27,36H,8-9,14-20H2,1H3,(H,37,43)(H,39,44)(H4,34,35,38)/t24?,25-,27+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14126
PNG
((2S)-N-{5-carbamimidamido-1-[6-(hydroxymethyl)-1,3...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(-[#6]-[#8])cc2s1 |r|
Show InChI InChI=1S/C29H37N7O4S/c1-32-22(15-18-7-3-2-4-8-18)28(40)36-14-6-10-23(36)26(39)34-21(9-5-13-33-29(30)31)25(38)27-35-20-12-11-19(17-37)16-24(20)41-27/h2-4,7-8,11-12,16,21-23,32,37H,5-6,9-10,13-15,17H2,1H3,(H,34,39)(H4,30,31,33)/t21?,22-,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14119
PNG
(2-ketobenzothiazole 59 | ethyl 2-(5-carbamimidamid...)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-c1csc(n1)-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6] |r|
Show InChI InChI=1S/C27H37N7O5S/c1-3-39-26(38)20-16-40-24(33-20)22(35)18(11-7-13-31-27(28)29)32-23(36)21-12-8-14-34(21)25(37)19(30-2)15-17-9-5-4-6-10-17/h4-6,9-10,16,18-19,21,30H,3,7-8,11-15H2,1-2H3,(H,32,36)(H4,28,29,31)/t18?,19-,21+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14118
PNG
(2-(5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(methylami...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc(cs1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C25H33N7O5S/c1-28-17(13-15-7-3-2-4-8-15)23(35)32-12-6-10-19(32)21(34)30-16(9-5-11-29-25(26)27)20(33)22-31-18(14-38-22)24(36)37/h2-4,7-8,14,16-17,19,28H,5-6,9-13H2,1H3,(H,30,34)(H,36,37)(H4,26,27,29)/t16?,17-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14115
PNG
((2S)-N-[1-(1,3-benzoxazol-2-yl)-5-carbamimidamido-...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccccc2o1 |r|
Show InChI InChI=1S/C28H35N7O4/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-6,9-11,14,20-22,31H,7-8,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.20n/a 110n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14094
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-3-[(3S)-1-c...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C[C@@H]1CCCN(C1)C(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C31H39N7O3S/c1-34-24(17-20-9-3-2-4-10-20)30(41)38-16-8-13-25(38)28(40)35-23(18-21-11-7-15-37(19-21)31(32)33)27(39)29-36-22-12-5-6-14-26(22)42-29/h2-6,9-10,12,14,21,23-25,34H,7-8,11,13,15-19H2,1H3,(H3,32,33)(H,35,40)/t21-,23-,24+,25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14114
PNG
((2S)-N-[5-carbamimidamido-1-(1-methyl-1H-1,3-benzo...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccccc2n1-[#6] |r|
Show InChI InChI=1S/C29H38N8O3/c1-32-22(18-19-10-4-3-5-11-19)28(40)37-17-9-15-24(37)27(39)35-21(13-8-16-33-29(30)31)25(38)26-34-20-12-6-7-14-23(20)36(26)2/h3-7,10-12,14,21-22,24,32H,8-9,13,15-18H2,1-2H3,(H,35,39)(H4,30,31,33)/t21?,22-,24+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.10n/a 110n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14116
PNG
((2S)-N-[5-carbamimidamido-1-oxo-1-(4-oxo-3,4-dihyd...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccccc2c(=O)[nH]1 |r,wU:16.18,2.1,(-7.01,6.07,;-5.67,6.84,;-4.34,6.07,;-4.34,4.53,;-5.67,3.76,;-7.01,4.53,;-8.34,3.76,;-8.34,2.22,;-7.01,1.45,;-5.67,2.22,;-3.01,6.84,;-3.01,8.38,;-1.67,6.07,;-1.67,7.61,;-.34,8.38,;.64,7.4,;-.13,6.07,;.64,4.74,;-.13,3.4,;2.18,4.74,;3.51,3.97,;3.51,2.43,;2.18,1.66,;2.18,.12,;.84,-.65,;.84,-2.19,;2.18,-2.96,;-.49,-2.96,;4.84,4.74,;4.84,6.28,;6.18,3.97,;7.51,4.74,;8.85,3.97,;10.18,4.74,;11.51,3.97,;11.51,2.43,;10.18,1.66,;8.85,2.43,;7.51,1.66,;7.51,.12,;6.18,2.43,)|
Show InChI InChI=1S/C29H36N8O4/c1-32-22(17-18-9-3-2-4-10-18)28(41)37-16-8-14-23(37)27(40)35-21(13-7-15-33-29(30)31)24(38)25-34-20-12-6-5-11-19(20)26(39)36-25/h2-6,9-12,21-23,32H,7-8,13-17H2,1H3,(H,35,40)(H4,30,31,33)(H,34,36,39)/t21?,22-,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14118
PNG
(2-(5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(methylami...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc(cs1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C25H33N7O5S/c1-28-17(13-15-7-3-2-4-8-15)23(35)32-12-6-10-19(32)21(34)30-16(9-5-11-29-25(26)27)20(33)22-31-18(14-38-22)24(36)37/h2-4,7-8,14,16-17,19,28H,5-6,9-13H2,1H3,(H,30,34)(H,36,37)(H4,26,27,29)/t16?,17-,19+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.10n/a 112n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14130
PNG
((2S)-N-(5-carbamimidamido-1-oxopentan-2-yl)-1-[(2R...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C21H32N6O3/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25)/t16?,17-,18+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14067
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1c(F)c(F)c(F)c(F)c1F)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H30F5N7O3S/c1-36-16(12-13-19(29)21(31)23(33)22(32)20(13)30)27(43)40-11-5-8-17(40)25(42)38-15(7-4-10-37-28(34)35)24(41)26-39-14-6-2-3-9-18(14)44-26/h2-3,6,9,15-17,36H,4-5,7-8,10-12H2,1H3,(H,38,42)(H4,34,35,37)/t15?,16-,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14136
PNG
(2-ketobenzothiazole 74 | N-[(2S)-1-(1,3-benzothiaz...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]S(=O)(=O)[#6]-c2ccccc2)-[#6]-1=O)-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H35N7O5S2/c29-28(30)31-15-8-13-21(25(37)26-33-20-11-4-5-14-23(20)41-26)32-24(36)17-35-16-7-6-12-22(27(35)38)34-42(39,40)18-19-9-2-1-3-10-19/h1-5,9-11,14,21-22,34H,6-8,12-13,15-18H2,(H,32,36)(H4,29,30,31)/t21-,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14113
PNG
((2S)-N-[1-(1H-1,3-benzodiazol-2-yl)-5-carbamimidam...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccccc2[nH]1 |r,wU:16.18,2.1,(-7.01,6.07,;-5.67,6.84,;-4.34,6.07,;-4.34,4.53,;-5.67,3.76,;-7.01,4.53,;-8.34,3.76,;-8.34,2.22,;-7.01,1.45,;-5.67,2.22,;-3.01,6.84,;-3.01,8.38,;-1.67,6.07,;-1.67,7.61,;-.34,8.38,;.64,7.4,;-.13,6.07,;.64,4.74,;-.13,3.4,;2.18,4.74,;3.51,3.97,;3.51,2.43,;2.18,1.66,;2.18,.12,;.84,-.65,;.84,-2.19,;2.18,-2.96,;-.49,-2.96,;4.84,4.74,;4.84,6.28,;6.18,3.97,;7.42,4.87,;8.67,3.97,;10.18,4.29,;11.21,3.14,;10.73,1.68,;9.22,1.36,;8.19,2.5,;6.65,2.5,)|
Show InChI InChI=1S/C28H36N8O3/c1-31-22(17-18-9-3-2-4-10-18)27(39)36-16-8-14-23(36)26(38)35-21(13-7-15-32-28(29)30)24(37)25-33-19-11-5-6-12-20(19)34-25/h2-6,9-12,21-23,31H,7-8,13-17H2,1H3,(H,33,34)(H,35,38)(H4,29,30,32)/t21?,22-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.60n/a 360n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14113
PNG
((2S)-N-[1-(1H-1,3-benzodiazol-2-yl)-5-carbamimidam...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccccc2[nH]1 |r,wU:16.18,2.1,(-7.01,6.07,;-5.67,6.84,;-4.34,6.07,;-4.34,4.53,;-5.67,3.76,;-7.01,4.53,;-8.34,3.76,;-8.34,2.22,;-7.01,1.45,;-5.67,2.22,;-3.01,6.84,;-3.01,8.38,;-1.67,6.07,;-1.67,7.61,;-.34,8.38,;.64,7.4,;-.13,6.07,;.64,4.74,;-.13,3.4,;2.18,4.74,;3.51,3.97,;3.51,2.43,;2.18,1.66,;2.18,.12,;.84,-.65,;.84,-2.19,;2.18,-2.96,;-.49,-2.96,;4.84,4.74,;4.84,6.28,;6.18,3.97,;7.42,4.87,;8.67,3.97,;10.18,4.29,;11.21,3.14,;10.73,1.68,;9.22,1.36,;8.19,2.5,;6.65,2.5,)|
Show InChI InChI=1S/C28H36N8O3/c1-31-22(17-18-9-3-2-4-10-18)27(39)36-16-8-14-23(36)26(38)35-21(13-7-15-32-28(29)30)24(37)25-33-19-11-5-6-12-20(19)34-25/h2-6,9-12,21-23,31H,7-8,13-17H2,1H3,(H,33,34)(H,35,38)(H4,29,30,32)/t21?,22-,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14069
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C29H35N7O4S/c1-18(37)33-22(17-19-9-3-2-4-10-19)28(40)36-16-8-13-23(36)26(39)34-21(12-7-15-32-29(30)31)25(38)27-35-20-11-5-6-14-24(20)41-27/h2-6,9-11,14,21-23H,7-8,12-13,15-17H2,1H3,(H,33,37)(H,34,39)(H4,30,31,32)/t21?,22-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
13 -46.8 430n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14115
PNG
((2S)-N-[1-(1,3-benzoxazol-2-yl)-5-carbamimidamido-...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccccc2o1 |r|
Show InChI InChI=1S/C28H35N7O4/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-6,9-11,14,20-22,31H,7-8,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,22+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14116
PNG
((2S)-N-[5-carbamimidamido-1-oxo-1-(4-oxo-3,4-dihyd...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccccc2c(=O)[nH]1 |r,wU:16.18,2.1,(-7.01,6.07,;-5.67,6.84,;-4.34,6.07,;-4.34,4.53,;-5.67,3.76,;-7.01,4.53,;-8.34,3.76,;-8.34,2.22,;-7.01,1.45,;-5.67,2.22,;-3.01,6.84,;-3.01,8.38,;-1.67,6.07,;-1.67,7.61,;-.34,8.38,;.64,7.4,;-.13,6.07,;.64,4.74,;-.13,3.4,;2.18,4.74,;3.51,3.97,;3.51,2.43,;2.18,1.66,;2.18,.12,;.84,-.65,;.84,-2.19,;2.18,-2.96,;-.49,-2.96,;4.84,4.74,;4.84,6.28,;6.18,3.97,;7.51,4.74,;8.85,3.97,;10.18,4.74,;11.51,3.97,;11.51,2.43,;10.18,1.66,;8.85,2.43,;7.51,1.66,;7.51,.12,;6.18,2.43,)|
Show InChI InChI=1S/C29H36N8O4/c1-32-22(17-18-9-3-2-4-10-18)28(41)37-16-8-14-23(37)27(40)35-21(13-7-15-33-29(30)31)24(38)25-34-20-12-6-5-11-19(20)26(39)36-25/h2-6,9-12,21-23,32H,7-8,13-17H2,1H3,(H,35,40)(H4,30,31,33)(H,34,36,39)/t21?,22-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
15n/a 106n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14093
PNG
((2S)-N-[(2R)-1-(1,3-benzothiazol-2-yl)-3-(3-carbam...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H34N6O3S/c1-35-25(18-20-9-3-2-4-10-20)32(41)38-16-8-14-26(38)30(40)36-24(19-21-11-7-12-22(17-21)29(33)34)28(39)31-37-23-13-5-6-15-27(23)42-31/h2-7,9-13,15,17,24-26,35H,8,14,16,18-19H2,1H3,(H3,33,34)(H,36,40)/t24-,25-,26+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/a 370n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14122
PNG
((2S)-N-(5-carbamimidamido-1-oxo-1-{3-thia-5-azatri...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc3ccccc3c2s1 |r|
Show InChI InChI=1S/C32H37N7O3S/c1-35-25(19-20-9-3-2-4-10-20)31(42)39-18-8-14-26(39)29(41)37-23(13-7-17-36-32(33)34)27(40)30-38-24-16-15-21-11-5-6-12-22(21)28(24)43-30/h2-6,9-12,15-16,23,25-26,35H,7-8,13-14,17-19H2,1H3,(H,37,41)(H4,33,34,36)/t23?,25-,26+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14136
PNG
(2-ketobenzothiazole 74 | N-[(2S)-1-(1,3-benzothiaz...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]S(=O)(=O)[#6]-c2ccccc2)-[#6]-1=O)-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H35N7O5S2/c29-28(30)31-15-8-13-21(25(37)26-33-20-11-4-5-14-23(20)41-26)32-24(36)17-35-16-7-6-12-22(27(35)38)34-42(39,40)18-19-9-2-1-3-10-19/h1-5,9-11,14,21-22,34H,6-8,12-13,15-18H2,(H,32,36)(H4,29,30,31)/t21-,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
16n/a 270n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14137
PNG
(2-ketobenzothiazole 75 | methyl (3S)-4-[(2S)-2-{[(...)
Show SMILES [#6]-[#6]-[#6]-[#6](-[#6]-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](=O)-[#8]-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C31H45N7O6S/c1-4-10-19(11-5-2)27(41)36-22(18-25(39)44-3)30(43)38-17-9-14-23(38)28(42)35-21(13-8-16-34-31(32)33)26(40)29-37-20-12-6-7-15-24(20)45-29/h6-7,12,15,19,21-23H,4-5,8-11,13-14,16-18H2,1-3H3,(H,35,42)(H,36,41)(H4,32,33,34)/t21-,22-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14087
PNG
((2S)-N-[(2R)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H35N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-6,9-11,14,20-22,31H,7-8,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20-,21-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/a 80n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14130
PNG
((2S)-N-(5-carbamimidamido-1-oxopentan-2-yl)-1-[(2R...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C21H32N6O3/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25)/t16?,17-,18+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
18n/a 85n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14098
PNG
((2S)-N-[(2R)-6-amino-1-(1,3-benzothiazol-2-yl)-1-o...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H35N5O3S/c1-30-22(18-19-10-3-2-4-11-19)28(36)33-17-9-14-23(33)26(35)31-21(13-7-8-16-29)25(34)27-32-20-12-5-6-15-24(20)37-27/h2-6,10-12,15,21-23,30H,7-9,13-14,16-18,29H2,1H3,(H,31,35)/t21-,22-,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14085
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H37N7O3S/c1-17(2)23(35-25(37)21(31-3)16-18-10-5-4-6-11-18)26(38)33-20(13-9-15-32-28(29)30)24(36)27-34-19-12-7-8-14-22(19)39-27/h4-8,10-12,14,17,20-21,23,31H,9,13,15-16H2,1-3H3,(H,33,38)(H,35,37)(H4,29,30,32)/t20?,21-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
21n/a 440n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14074
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C33H36N6O3S/c34-33(35)36-19-9-16-26(30(41)32-38-25-15-7-8-18-28(25)43-32)37-31(42)27-17-10-20-39(27)29(40)21-24(22-11-3-1-4-12-22)23-13-5-2-6-14-23/h1-8,11-15,18,24,26-27H,9-10,16-17,19-21H2,(H,37,42)(H4,34,35,36)/t26?,27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14072
PNG
(2-ketobenzothiazole 12 | 2-{[(2R)-1-[(2S)-2-{[1-(1...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6]-[#6](-[#8])=O)-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C29H41N7O5S/c30-29(31)32-14-6-11-20(25(39)27-35-19-10-4-5-13-23(19)42-27)34-26(40)22-12-7-15-36(22)28(41)21(33-17-24(37)38)16-18-8-2-1-3-9-18/h4-5,10,13,18,20-22,33H,1-3,6-9,11-12,14-17H2,(H,34,40)(H,37,38)(H4,30,31,32)/t20?,21-,22+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14070
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#6]S(=O)(=O)[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C29H37N7O5S2/c1-2-43(40,41)35-22(18-19-10-4-3-5-11-19)28(39)36-17-9-14-23(36)26(38)33-21(13-8-16-32-29(30)31)25(37)27-34-20-12-6-7-15-24(20)42-27/h3-7,10-12,15,21-23,35H,2,8-9,13-14,16-18H2,1H3,(H,33,38)(H4,30,31,32)/t21?,22-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
24 -45.2 500n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14087
PNG
((2S)-N-[(2R)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H35N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-6,9-11,14,20-22,31H,7-8,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20-,21-,22+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14083
PNG
(2-ketobenzothiazole 23 | N-[1-(1,3-benzothiazol-2-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-c1nc2ccccc2s1
Show InChI InChI=1S/C19H25N5O2S/c20-19(21)22-11-5-9-14(23-17(26)12-6-1-2-7-12)16(25)18-24-13-8-3-4-10-15(13)27-18/h3-4,8,10,12,14H,1-2,5-7,9,11H2,(H,23,26)(H4,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine protease 1


(Bos taurus (bovine))
BDBM14128
PNG
(2-ketobenzothiazole 68 | methyl 2-(5-carbamimidami...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(cc2s1)-[#6](=O)-[#8]-[#6] |r|
Show InChI InChI=1S/C30H37N7O5S/c1-33-22(16-18-8-4-3-5-9-18)28(40)37-15-7-11-23(37)26(39)35-21(10-6-14-34-30(31)32)25(38)27-36-20-13-12-19(29(41)42-2)17-24(20)43-27/h3-5,8-9,12-13,17,21-23,33H,6-7,10-11,14-16H2,1-2H3,(H,35,39)(H4,31,32,34)/t21?,22-,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14070
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#6]S(=O)(=O)[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C29H37N7O5S2/c1-2-43(40,41)35-22(18-19-10-4-3-5-11-19)28(39)36-17-9-14-23(36)26(38)33-21(13-8-16-32-29(30)31)25(37)27-34-20-12-6-7-15-24(20)42-27/h3-7,10-12,15,21-23,35H,2,8-9,13-14,16-18H2,1H3,(H,33,38)(H4,30,31,32)/t21?,22-,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14097
PNG
((2S)-N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-o...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H35N5O3S/c1-30-22(18-19-10-3-2-4-11-19)28(36)33-17-9-14-23(33)26(35)31-21(13-7-8-16-29)25(34)27-32-20-12-5-6-15-24(20)37-27/h2-6,10-12,15,21-23,30H,7-9,13-14,16-18,29H2,1H3,(H,31,35)/t21-,22+,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
38n/a 650n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14132
PNG
((2S)-N-[(1R)-1-(4-aminocyclohexyl)-2-(1,3-benzothi...)
Show SMILES CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C1CC[C@H](N)CC1)C(=O)c1nc2ccccc2s1 |r,wU:20.22,6.5,24.25,wD:28.30,(3.76,9.7,;4.53,11.04,;6.07,11.04,;6.07,12.58,;6.07,9.5,;7.61,11.04,;8.94,10.27,;8.94,8.73,;7.61,7.96,;6.27,8.73,;4.94,7.96,;4.94,6.42,;6.27,5.65,;7.61,6.42,;10.27,11.04,;10.27,12.58,;11.61,10.27,;11.61,11.81,;12.94,12.58,;13.92,11.6,;13.15,10.27,;13.92,8.93,;13.15,7.6,;15.46,8.93,;16.79,8.16,;16.79,6.62,;18.12,5.85,;18.12,4.31,;16.79,3.54,;16.79,2,;15.46,4.31,;15.46,5.85,;18.12,8.93,;18.12,10.47,;19.46,8.16,;20.7,9.07,;21.95,8.16,;23.46,8.48,;24.49,7.34,;24.01,5.87,;22.5,5.55,;21.47,6.7,;19.93,6.7,)|
Show InChI InChI=1S/C31H39N5O5S2/c1-2-43(40,41)35-24(19-20-9-4-3-5-10-20)31(39)36-18-8-12-25(36)29(38)34-27(21-14-16-22(32)17-15-21)28(37)30-33-23-11-6-7-13-26(23)42-30/h3-7,9-11,13,21-22,24-25,27,35H,2,8,12,14-19,32H2,1H3,(H,34,38)/t21?,22-,24-,25+,27-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
53n/a 460n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14101
PNG
((2S)-N-[(1S)-1-[4-(aminomethyl)cyclohexyl]-2-(1,3-...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C1CC[C@H](CN)CC1)C(=O)c1nc2ccccc2s1 |r,wU:16.18,2.1,24.26,wD:20.21,(-7.01,6.07,;-5.67,6.84,;-4.34,6.07,;-4.34,4.53,;-5.67,3.76,;-7.01,4.53,;-8.34,3.76,;-8.34,2.22,;-7.01,1.45,;-5.67,2.22,;-3.01,6.84,;-3.01,8.38,;-1.67,6.07,;-1.67,7.61,;-.34,8.38,;.64,7.4,;-.13,6.07,;.64,4.74,;-.13,3.4,;2.18,4.74,;3.51,3.97,;3.51,2.43,;2.18,1.66,;2.18,.12,;3.51,-.65,;3.51,-2.19,;4.84,-2.96,;4.84,.12,;4.84,1.66,;4.84,4.74,;4.84,6.28,;6.18,3.97,;7.65,4.41,;8.53,3.15,;10.06,2.96,;10.66,1.54,;9.73,.31,;8.2,.5,;7.6,1.92,;6.15,2.43,)|
Show InChI InChI=1S/C31H39N5O3S/c1-33-24(18-20-8-3-2-4-9-20)31(39)36-17-7-11-25(36)29(38)35-27(22-15-13-21(19-32)14-16-22)28(37)30-34-23-10-5-6-12-26(23)40-30/h2-6,8-10,12,21-22,24-25,27,33H,7,11,13-19,32H2,1H3,(H,35,38)/t21-,22?,24-,25+,27+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
54n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14135
PNG
(2-ketobenzothiazole 73 | N-({[(2S)-1-(1,3-benzothi...)
Show SMILES [#6]-c1cccc(c1)C([#6])([#6])[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1)-[#6](=O)-[#6]-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C35H42N6O3S/c1-24-11-9-14-26(21-24)35(2,3)23-41(31(43)19-18-25-12-5-4-6-13-25)22-30(42)39-28(16-10-20-38-34(36)37)32(44)33-40-27-15-7-8-17-29(27)45-33/h4-9,11-15,17,21,28H,10,16,18-20,22-23H2,1-3H3,(H,39,42)(H4,36,37,38)/t28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
57n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14077
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]C1([#6]-[#6]-[#6]-[#6]-[#6]1)[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C26H37N7O3S/c1-29-26(13-5-2-6-14-26)24(36)33-16-8-11-19(33)22(35)31-18(10-7-15-30-25(27)28)21(34)23-32-17-9-3-4-12-20(17)37-23/h3-4,9,12,18-19,29H,2,5-8,10-11,13-16H2,1H3,(H,31,35)(H4,27,28,30)/t18?,19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
73 -42.4 490n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14110
PNG
((2S)-N-[5-carbamimidamido-1-oxo-1-(pyridin-2-yl)pe...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1ccccn1 |r|
Show InChI InChI=1S/C26H35N7O3/c1-29-21(17-18-9-3-2-4-10-18)25(36)33-16-8-13-22(33)24(35)32-20(12-7-15-31-26(27)28)23(34)19-11-5-6-14-30-19/h2-6,9-11,14,20-22,29H,7-8,12-13,15-17H2,1H3,(H,32,35)(H4,27,28,31)/t20?,21-,22+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
73n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14110
PNG
((2S)-N-[5-carbamimidamido-1-oxo-1-(pyridin-2-yl)pe...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1ccccn1 |r|
Show InChI InChI=1S/C26H35N7O3/c1-29-21(17-18-9-3-2-4-10-18)25(36)33-16-8-13-22(33)24(35)32-20(12-7-15-31-26(27)28)23(34)19-11-5-6-14-30-19/h2-6,9-11,14,20-22,29H,7-8,12-13,15-17H2,1H3,(H,32,35)(H4,27,28,31)/t20?,21-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
85n/a 930n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14132
PNG
((2S)-N-[(1R)-1-(4-aminocyclohexyl)-2-(1,3-benzothi...)
Show SMILES CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C1CC[C@H](N)CC1)C(=O)c1nc2ccccc2s1 |r,wU:20.22,6.5,24.25,wD:28.30,(3.76,9.7,;4.53,11.04,;6.07,11.04,;6.07,12.58,;6.07,9.5,;7.61,11.04,;8.94,10.27,;8.94,8.73,;7.61,7.96,;6.27,8.73,;4.94,7.96,;4.94,6.42,;6.27,5.65,;7.61,6.42,;10.27,11.04,;10.27,12.58,;11.61,10.27,;11.61,11.81,;12.94,12.58,;13.92,11.6,;13.15,10.27,;13.92,8.93,;13.15,7.6,;15.46,8.93,;16.79,8.16,;16.79,6.62,;18.12,5.85,;18.12,4.31,;16.79,3.54,;16.79,2,;15.46,4.31,;15.46,5.85,;18.12,8.93,;18.12,10.47,;19.46,8.16,;20.7,9.07,;21.95,8.16,;23.46,8.48,;24.49,7.34,;24.01,5.87,;22.5,5.55,;21.47,6.7,;19.93,6.7,)|
Show InChI InChI=1S/C31H39N5O5S2/c1-2-43(40,41)35-24(19-20-9-4-3-5-10-20)31(39)36-18-8-12-25(36)29(38)34-27(21-14-16-22(32)17-15-21)28(37)30-33-23-11-6-7-13-26(23)42-30/h3-7,9-11,13,21-22,24-25,27,35H,2,8,12,14-19,32H2,1H3,(H,34,38)/t21?,22-,24-,25+,27-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
87n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14095
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-3-[(3R)-1-c...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C[C@H]1CCCN(C1)C(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C31H39N7O3S/c1-34-24(17-20-9-3-2-4-10-20)30(41)38-16-8-13-25(38)28(40)35-23(18-21-11-7-15-37(19-21)31(32)33)27(39)29-36-22-12-5-6-14-26(22)42-29/h2-6,9-10,12,14,21,23-25,34H,7-8,11,13,15-19H2,1H3,(H3,32,33)(H,35,40)/t21-,23+,24-,25+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
99n/a 1.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14131
PNG
((2S)-N-[(1R)-1-(4-aminocyclohexyl)-2-(1,3-benzothi...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C1CC[C@H](N)CC1)C(=O)c1nc2ccccc2s1 |r,wU:16.18,2.1,20.21,wD:24.26,(13.45,-1.07,;14.78,-.3,;16.11,-1.07,;16.11,-2.61,;14.78,-3.38,;13.45,-2.61,;12.11,-3.38,;12.11,-4.92,;13.45,-5.69,;14.78,-4.92,;17.45,-.3,;17.45,1.24,;18.78,-1.07,;18.78,.47,;20.12,1.24,;21.09,.27,;20.32,-1.07,;21.09,-2.4,;20.32,-3.73,;22.63,-2.4,;23.97,-3.17,;23.97,-4.71,;25.3,-5.48,;25.3,-7.02,;23.97,-7.79,;23.97,-9.9,;22.63,-7.02,;22.63,-5.48,;25.3,-2.4,;25.3,-.86,;26.63,-3.17,;27.88,-2.26,;29.12,-3.17,;30.63,-2.85,;31.66,-3.99,;31.18,-5.46,;29.68,-5.78,;28.65,-4.63,;27.11,-4.63,)|
Show InChI InChI=1S/C30H37N5O3S/c1-32-23(18-19-8-3-2-4-9-19)30(38)35-17-7-11-24(35)28(37)34-26(20-13-15-21(31)16-14-20)27(36)29-33-22-10-5-6-12-25(22)39-29/h2-6,8-10,12,20-21,23-24,26,32H,7,11,13-18,31H2,1H3,(H,34,37)/t20?,21-,23-,24+,26-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/a 1.90E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14120
PNG
(2-(5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(methylami...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc(cs1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C33H42N8O4S/c1-36-25(20-23-12-6-3-7-13-23)32(45)41-19-9-15-27(41)30(44)39-24(14-8-17-38-33(34)35)28(42)31-40-26(21-46-31)29(43)37-18-16-22-10-4-2-5-11-22/h2-7,10-13,21,24-25,27,36H,8-9,14-20H2,1H3,(H,37,43)(H,39,44)(H4,34,35,38)/t24?,25-,27+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
120n/a 830n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14112
PNG
((2S)-N-[5-carbamimidamido-1-(1-methyl-1H-imidazol-...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccn1-[#6] |r|
Show InChI InChI=1S/C25H36N8O3/c1-28-19(16-17-8-4-3-5-9-17)24(36)33-14-7-11-20(33)23(35)31-18(10-6-12-30-25(26)27)21(34)22-29-13-15-32(22)2/h3-5,8-9,13,15,18-20,28H,6-7,10-12,14,16H2,1-2H3,(H,31,35)(H4,26,27,30)/t18?,19-,20+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/a 1.50E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14098
PNG
((2S)-N-[(2R)-6-amino-1-(1,3-benzothiazol-2-yl)-1-o...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H35N5O3S/c1-30-22(18-19-10-3-2-4-11-19)28(36)33-17-9-14-23(33)26(35)31-21(13-7-8-16-29)25(34)27-32-20-12-5-6-15-24(20)37-27/h2-6,10-12,15,21-23,30H,7-9,13-14,16-18,29H2,1H3,(H,31,35)/t21-,22-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
210n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14095
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-3-[(3R)-1-c...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C[C@H]1CCCN(C1)C(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C31H39N7O3S/c1-34-24(17-20-9-3-2-4-10-20)30(41)38-16-8-13-25(38)28(40)35-23(18-21-11-7-15-37(19-21)31(32)33)27(39)29-36-22-12-5-6-14-26(22)42-29/h2-6,9-10,12,14,21,23-25,34H,7-8,11,13,15-19H2,1H3,(H3,32,33)(H,35,40)/t21-,23+,24-,25+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
210n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14084
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C18H24N6O2S/c19-18(20)22-10-3-6-12(23-16(26)13-7-4-9-21-13)15(25)17-24-11-5-1-2-8-14(11)27-17/h1-2,5,8,12-13,21H,3-4,6-7,9-10H2,(H,23,26)(H4,19,20,22)/t12?,13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
250n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14114
PNG
((2S)-N-[5-carbamimidamido-1-(1-methyl-1H-1,3-benzo...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccccc2n1-[#6] |r|
Show InChI InChI=1S/C29H38N8O3/c1-32-22(18-19-10-4-3-5-11-19)28(40)37-17-9-15-24(37)27(39)35-21(13-8-16-33-29(30)31)25(38)26-34-20-12-6-7-14-23(20)36(26)2/h3-7,10-12,14,21-22,24,32H,8-9,13,15-18H2,1-2H3,(H,35,39)(H4,30,31,33)/t21?,22-,24+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
290n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14131
PNG
((2S)-N-[(1R)-1-(4-aminocyclohexyl)-2-(1,3-benzothi...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C1CC[C@H](N)CC1)C(=O)c1nc2ccccc2s1 |r,wU:16.18,2.1,20.21,wD:24.26,(13.45,-1.07,;14.78,-.3,;16.11,-1.07,;16.11,-2.61,;14.78,-3.38,;13.45,-2.61,;12.11,-3.38,;12.11,-4.92,;13.45,-5.69,;14.78,-4.92,;17.45,-.3,;17.45,1.24,;18.78,-1.07,;18.78,.47,;20.12,1.24,;21.09,.27,;20.32,-1.07,;21.09,-2.4,;20.32,-3.73,;22.63,-2.4,;23.97,-3.17,;23.97,-4.71,;25.3,-5.48,;25.3,-7.02,;23.97,-7.79,;23.97,-9.9,;22.63,-7.02,;22.63,-5.48,;25.3,-2.4,;25.3,-.86,;26.63,-3.17,;27.88,-2.26,;29.12,-3.17,;30.63,-2.85,;31.66,-3.99,;31.18,-5.46,;29.68,-5.78,;28.65,-4.63,;27.11,-4.63,)|
Show InChI InChI=1S/C30H37N5O3S/c1-32-23(18-19-8-3-2-4-9-19)30(38)35-17-7-11-24(35)28(37)34-26(20-13-15-21(31)16-14-20)27(36)29-33-22-10-5-6-12-25(22)39-29/h2-6,8-10,12,20-21,23-24,26,32H,7,11,13-18,31H2,1H3,(H,34,37)/t20?,21-,23-,24+,26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
330n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14096
PNG
((2S)-N-[(2R)-1-(1,3-benzothiazol-2-yl)-3-[(3R)-1-c...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C[C@H]1CCCN(C1)C(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C31H39N7O3S/c1-34-24(17-20-9-3-2-4-10-20)30(41)38-16-8-13-25(38)28(40)35-23(18-21-11-7-15-37(19-21)31(32)33)27(39)29-36-22-12-5-6-14-26(22)42-29/h2-6,9-10,12,14,21,23-25,34H,7-8,11,13,15-19H2,1H3,(H3,32,33)(H,35,40)/t21-,23-,24-,25+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
380n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14135
PNG
(2-ketobenzothiazole 73 | N-({[(2S)-1-(1,3-benzothi...)
Show SMILES [#6]-c1cccc(c1)C([#6])([#6])[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1)-[#6](=O)-[#6]-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C35H42N6O3S/c1-24-11-9-14-26(21-24)35(2,3)23-41(31(43)19-18-25-12-5-4-6-13-25)22-30(42)39-28(16-10-20-38-34(36)37)32(44)33-40-27-15-7-8-17-29(27)45-33/h4-9,11-15,17,21,28H,10,16,18-20,22-23H2,1-3H3,(H,39,42)(H4,36,37,38)/t28-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
400n/a 4.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14088
PNG
((2S)-N-[(2S)-2-(1,3-benzothiazol-2-ylcarbonyl)-5-c...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7][C@@]([#6])([#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C29H37N7O3S/c1-29(15-9-16-33-28(30)31,24(37)26-34-20-12-6-7-14-23(20)40-26)35-25(38)22-13-8-17-36(22)27(39)21(32-2)18-19-10-4-3-5-11-19/h3-7,10-12,14,21-22,32H,8-9,13,15-18H2,1-2H3,(H,35,38)(H4,30,31,33)/t21-,22+,29+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
430n/a 3.70E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14096
PNG
((2S)-N-[(2R)-1-(1,3-benzothiazol-2-yl)-3-[(3R)-1-c...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C[C@H]1CCCN(C1)C(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C31H39N7O3S/c1-34-24(17-20-9-3-2-4-10-20)30(41)38-16-8-13-25(38)28(40)35-23(18-21-11-7-15-37(19-21)31(32)33)27(39)29-36-22-12-5-6-14-26(22)42-29/h2-6,9-10,12,14,21,23-25,34H,7-8,11,13,15-19H2,1H3,(H3,32,33)(H,35,40)/t21-,23-,24-,25+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
540n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14101
PNG
((2S)-N-[(1S)-1-[4-(aminomethyl)cyclohexyl]-2-(1,3-...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C1CC[C@H](CN)CC1)C(=O)c1nc2ccccc2s1 |r,wU:16.18,2.1,24.26,wD:20.21,(-7.01,6.07,;-5.67,6.84,;-4.34,6.07,;-4.34,4.53,;-5.67,3.76,;-7.01,4.53,;-8.34,3.76,;-8.34,2.22,;-7.01,1.45,;-5.67,2.22,;-3.01,6.84,;-3.01,8.38,;-1.67,6.07,;-1.67,7.61,;-.34,8.38,;.64,7.4,;-.13,6.07,;.64,4.74,;-.13,3.4,;2.18,4.74,;3.51,3.97,;3.51,2.43,;2.18,1.66,;2.18,.12,;3.51,-.65,;3.51,-2.19,;4.84,-2.96,;4.84,.12,;4.84,1.66,;4.84,4.74,;4.84,6.28,;6.18,3.97,;7.65,4.41,;8.53,3.15,;10.06,2.96,;10.66,1.54,;9.73,.31,;8.2,.5,;7.6,1.92,;6.15,2.43,)|
Show InChI InChI=1S/C31H39N5O3S/c1-33-24(18-20-8-3-2-4-9-20)31(39)36-17-7-11-25(36)29(38)35-27(22-15-13-21(19-32)14-16-22)28(37)30-34-23-10-5-6-12-26(23)40-30/h2-6,8-10,12,21-22,24-25,27,33H,7,11,13-19,32H2,1H3,(H,35,38)/t21-,22?,24-,25+,27+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
920n/a 1.70E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14100
PNG
((2S)-N-[(2R)-1-(1,3-benzothiazol-2-yl)-6-(methylam...)
Show SMILES CNCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C29H37N5O3S/c1-30-17-9-8-14-22(26(35)28-33-21-13-6-7-16-25(21)38-28)32-27(36)24-15-10-18-34(24)29(37)23(31-2)19-20-11-4-3-5-12-20/h3-7,11-13,16,22-24,30-31H,8-10,14-15,17-19H2,1-2H3,(H,32,36)/t22-,23-,24+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14104
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxohexan-...)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H34N4O3S/c1-3-4-13-21(25(33)27-31-20-14-8-9-16-24(20)36-27)30-26(34)23-15-10-17-32(23)28(35)22(29-2)18-19-11-6-5-7-12-19/h5-9,11-12,14,16,21-23,29H,3-4,10,13,15,17-18H2,1-2H3,(H,30,34)/t21-,22+,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14099
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-6-(methylam...)
Show SMILES CNCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C29H37N5O3S/c1-30-17-9-8-14-22(26(35)28-33-21-13-6-7-16-25(21)38-28)32-27(36)24-15-10-18-34(24)29(37)23(31-2)19-20-11-4-3-5-12-20/h3-7,11-13,16,22-24,30-31H,8-10,14-15,17-19H2,1-2H3,(H,32,36)/t22-,23+,24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14082
PNG
(2-ketobenzothiazole 22 | N-[1-(1,3-benzothiazol-2-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6]=O)-[#6](=O)-c1nc2ccccc2s1
Show InChI InChI=1S/C14H17N5O2S/c15-14(16)17-7-3-5-10(18-8-20)12(21)13-19-9-4-1-2-6-11(9)22-13/h1-2,4,6,8,10H,3,5,7H2,(H,18,20)(H4,15,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14111
PNG
((2S)-N-[(2S)-1-(1-benzothiophen-2-yl)-5-carbamimid...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1cc2ccccc2s1 |r|
Show InChI InChI=1S/C29H36N6O3S/c1-32-22(17-19-9-3-2-4-10-19)28(38)35-16-8-13-23(35)27(37)34-21(12-7-15-33-29(30)31)26(36)25-18-20-11-5-6-14-24(20)39-25/h2-6,9-11,14,18,21-23,32H,7-8,12-13,15-17H2,1H3,(H,34,37)(H4,30,31,33)/t21-,22+,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14091
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-3-(4-carbam...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)C(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H34N6O3S/c1-35-25(19-20-8-3-2-4-9-20)32(41)38-17-7-11-26(38)30(40)36-24(18-21-13-15-22(16-14-21)29(33)34)28(39)31-37-23-10-5-6-12-27(23)42-31/h2-6,8-10,12-16,24-26,35H,7,11,17-19H2,1H3,(H3,33,34)(H,36,40)/t24-,25+,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40E+3n/a>1.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14102
PNG
((2S)-N-[(1R)-1-[4-(aminomethyl)cyclohexyl]-2-(1,3-...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C1CC[C@H](CN)CC1)C(=O)c1nc2ccccc2s1 |r,wU:20.21,16.18,2.1,wD:24.26,(-7.01,6.07,;-5.67,6.84,;-4.34,6.07,;-4.34,4.53,;-5.67,3.76,;-7.01,4.53,;-8.34,3.76,;-8.34,2.22,;-7.01,1.45,;-5.67,2.22,;-3.01,6.84,;-3.01,8.38,;-1.67,6.07,;-1.67,7.61,;-.34,8.38,;.64,7.4,;-.13,6.07,;.64,4.74,;-.13,3.4,;2.18,4.74,;3.51,3.97,;3.51,2.43,;4.84,1.66,;4.84,.12,;3.51,-.65,;3.51,-2.19,;4.84,-2.96,;2.18,.12,;2.18,1.66,;4.84,4.74,;4.84,6.28,;6.18,3.97,;7.65,4.41,;8.53,3.15,;10.06,2.96,;10.66,1.54,;9.73,.31,;8.2,.5,;7.6,1.92,;6.15,2.43,)|
Show InChI InChI=1S/C31H39N5O3S/c1-33-24(18-20-8-3-2-4-9-20)31(39)36-17-7-11-25(36)29(38)35-27(22-15-13-21(19-32)14-16-22)28(37)30-34-23-10-5-6-12-26(23)40-30/h2-6,8-10,12,21-22,24-25,27,33H,7,11,13-19,32H2,1H3,(H,35,38)/t21-,22?,24-,25+,27-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.45E+3n/a>1.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14108
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H37N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-6,9-11,14,20-22,24,31,36H,7-8,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,22+,24?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+3n/a 1.70E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14089
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7](-[#6])-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C29H37N7O3S/c1-32-21(18-19-10-4-3-5-11-19)27(38)36-17-9-14-23(36)28(39)35(2)22(13-8-16-33-29(30)31)25(37)26-34-20-12-6-7-15-24(20)40-26/h3-7,10-12,15,21-23,32H,8-9,13-14,16-18H2,1-2H3,(H4,30,31,33)/t21-,22+,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10E+3n/a 2.10E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14111
PNG
((2S)-N-[(2S)-1-(1-benzothiophen-2-yl)-5-carbamimid...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1cc2ccccc2s1 |r|
Show InChI InChI=1S/C29H36N6O3S/c1-32-22(17-19-9-3-2-4-10-19)28(38)35-16-8-13-23(35)27(37)34-21(12-7-15-33-29(30)31)26(36)25-18-20-11-5-6-14-24(20)39-25/h2-6,9-11,14,18,21-23,32H,7-8,12-13,15-17H2,1H3,(H,34,37)(H4,30,31,33)/t21-,22+,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.40E+3n/a 1.30E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14093
PNG
((2S)-N-[(2R)-1-(1,3-benzothiazol-2-yl)-3-(3-carbam...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H34N6O3S/c1-35-25(18-20-9-3-2-4-10-20)32(41)38-16-8-14-26(38)30(40)36-24(19-21-11-7-12-22(17-21)29(33)34)28(39)31-37-23-13-5-6-15-27(23)42-31/h2-7,9-13,15,17,24-26,35H,8,14,16,18-19H2,1H3,(H3,33,34)(H,36,40)/t24-,25-,26+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.60E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14100
PNG
((2S)-N-[(2R)-1-(1,3-benzothiazol-2-yl)-6-(methylam...)
Show SMILES CNCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C29H37N5O3S/c1-30-17-9-8-14-22(26(35)28-33-21-13-6-7-16-25(21)38-28)32-27(36)24-15-10-18-34(24)29(37)23(31-2)19-20-11-4-3-5-12-20/h3-7,11-13,16,22-24,30-31H,8-10,14-15,17-19H2,1-2H3,(H,32,36)/t22-,23-,24+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.50E+3n/a>1.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14099
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-6-(methylam...)
Show SMILES CNCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C29H37N5O3S/c1-30-17-9-8-14-22(26(35)28-33-21-13-6-7-16-25(21)38-28)32-27(36)24-15-10-18-34(24)29(37)23(31-2)19-20-11-4-3-5-12-20/h3-7,11-13,16,22-24,30-31H,8-10,14-15,17-19H2,1-2H3,(H,32,36)/t22-,23+,24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.70E+3n/a>1.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14103
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-methoxy-1...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCOC)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H34N4O4S/c1-29-22(18-19-10-4-3-5-11-19)28(35)32-16-8-14-23(32)26(34)30-21(13-9-17-36-2)25(33)27-31-20-12-6-7-15-24(20)37-27/h3-7,10-12,15,21-23,29H,8-9,13-14,16-18H2,1-2H3,(H,30,34)/t21-,22+,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.90E+3n/a 4.60E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14102
PNG
((2S)-N-[(1R)-1-[4-(aminomethyl)cyclohexyl]-2-(1,3-...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C1CC[C@H](CN)CC1)C(=O)c1nc2ccccc2s1 |r,wU:20.21,16.18,2.1,wD:24.26,(-7.01,6.07,;-5.67,6.84,;-4.34,6.07,;-4.34,4.53,;-5.67,3.76,;-7.01,4.53,;-8.34,3.76,;-8.34,2.22,;-7.01,1.45,;-5.67,2.22,;-3.01,6.84,;-3.01,8.38,;-1.67,6.07,;-1.67,7.61,;-.34,8.38,;.64,7.4,;-.13,6.07,;.64,4.74,;-.13,3.4,;2.18,4.74,;3.51,3.97,;3.51,2.43,;4.84,1.66,;4.84,.12,;3.51,-.65,;3.51,-2.19,;4.84,-2.96,;2.18,.12,;2.18,1.66,;4.84,4.74,;4.84,6.28,;6.18,3.97,;7.65,4.41,;8.53,3.15,;10.06,2.96,;10.66,1.54,;9.73,.31,;8.2,.5,;7.6,1.92,;6.15,2.43,)|
Show InChI InChI=1S/C31H39N5O3S/c1-33-24(18-20-8-3-2-4-9-20)31(39)36-17-7-11-25(36)29(38)35-27(22-15-13-21(19-32)14-16-22)28(37)30-34-23-10-5-6-12-26(23)40-30/h2-6,8-10,12,21-22,24-25,27,33H,7,11,13-19,32H2,1H3,(H,35,38)/t21-,22?,24-,25+,27-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14108
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H37N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-6,9-11,14,20-22,24,31,36H,7-8,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,22+,24?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.30E+3n/a 4.80E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14089
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7](-[#6])-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C29H37N7O3S/c1-32-21(18-19-10-4-3-5-11-19)27(38)36-17-9-14-23(36)28(39)35(2)22(13-8-16-33-29(30)31)25(37)26-34-20-12-6-7-15-24(20)40-26/h3-7,10-12,15,21-23,32H,8-9,13-14,16-18H2,1-2H3,(H4,30,31,33)/t21-,22+,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.30E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14112
PNG
((2S)-N-[5-carbamimidamido-1-(1-methyl-1H-imidazol-...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccn1-[#6] |r|
Show InChI InChI=1S/C25H36N8O3/c1-28-19(16-17-8-4-3-5-9-17)24(36)33-14-7-11-20(33)23(35)31-18(10-6-12-30-25(26)27)21(34)22-29-13-15-32(22)2/h3-5,8-9,13,15,18-20,28H,6-7,10-12,14,16H2,1-2H3,(H,31,35)(H4,26,27,30)/t18?,19-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.80E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14088
PNG
((2S)-N-[(2S)-2-(1,3-benzothiazol-2-ylcarbonyl)-5-c...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7][C@@]([#6])([#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C29H37N7O3S/c1-29(15-9-16-33-28(30)31,24(37)26-34-20-12-6-7-14-23(20)40-26)35-25(38)22-13-8-17-36(22)27(39)21(32-2)18-19-10-4-3-5-11-19/h3-7,10-12,14,21-22,32H,8-9,13,15-18H2,1-2H3,(H,35,38)(H4,30,31,33)/t21-,22+,29+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14105
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-phe...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C31H32N4O3S/c1-32-25(20-22-13-6-3-7-14-22)31(38)35-18-10-16-26(35)29(37)33-24(19-21-11-4-2-5-12-21)28(36)30-34-23-15-8-9-17-27(23)39-30/h2-9,11-15,17,24-26,32H,10,16,18-20H2,1H3,(H,33,37)/t24-,25+,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.10E+3n/a>1.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14103
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-methoxy-1...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCOC)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H34N4O4S/c1-29-22(18-19-10-4-3-5-11-19)28(35)32-16-8-14-23(32)26(34)30-21(13-9-17-36-2)25(33)27-31-20-12-6-7-15-24(20)37-27/h3-7,10-12,15,21-23,29H,8-9,13-14,16-18H2,1-2H3,(H,30,34)/t21-,22+,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14105
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-phe...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C31H32N4O3S/c1-32-25(20-22-13-6-3-7-14-22)31(38)35-18-10-16-26(35)29(37)33-24(19-21-11-4-2-5-12-21)28(36)30-34-23-15-8-9-17-27(23)39-30/h2-9,11-15,17,24-26,32H,10,16,18-20H2,1H3,(H,33,37)/t24-,25+,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14083
PNG
(2-ketobenzothiazole 23 | N-[1-(1,3-benzothiazol-2-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-c1nc2ccccc2s1
Show InChI InChI=1S/C19H25N5O2S/c20-19(21)22-11-5-9-14(23-17(26)12-6-1-2-7-12)16(25)18-24-13-8-3-4-10-15(13)27-18/h3-4,8,10,12,14H,1-2,5-7,9,11H2,(H,23,26)(H4,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.46E+4n/a 8.20E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14081
PNG
(2-ketobenzothiazole 21 | 3-[5-(1,3-benzothiazol-2-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6](=O)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H16N4OS/c14-13(15)16-8-4-3-6-10(18)12-17-9-5-1-2-7-11(9)19-12/h1-2,5,7H,3-4,6,8H2,(H4,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14108
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H37N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-6,9-11,14,20-22,24,31,36H,7-8,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,22+,24?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80E+5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14108
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H37N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-6,9-11,14,20-22,24,31,36H,7-8,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,22+,24?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.50E+5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14140
PNG
((2S)-1-[(2S)-2-amino-3-phenylpropanoyl]-N-[1-(1,3-...)
Show SMILES [#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C27H33N7O3S/c28-18(16-17-8-2-1-3-9-17)26(37)34-15-7-12-21(34)24(36)32-20(11-6-14-31-27(29)30)23(35)25-33-19-10-4-5-13-22(19)38-25/h1-5,8-10,13,18,20-21H,6-7,11-12,14-16,28H2,(H,32,36)(H4,29,30,31)/t18-,20?,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14073
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Show SMILES [#6]-[#7]-[#6@H](-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C34H39N7O3S/c1-37-29(28(22-12-4-2-5-13-22)23-14-6-3-7-15-23)33(44)41-21-11-18-26(41)31(43)39-25(17-10-20-38-34(35)36)30(42)32-40-24-16-8-9-19-27(24)45-32/h2-9,12-16,19,25-26,28-29,37H,10-11,17-18,20-21H2,1H3,(H,39,43)(H4,35,36,38)/t25-,26-,29+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14075
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H33N7O3S/c1-30-22(17-9-3-2-4-10-17)26(37)34-16-8-13-20(34)24(36)32-19(12-7-15-31-27(28)29)23(35)25-33-18-11-5-6-14-21(18)38-25/h2-6,9-11,14,19-20,22,30H,7-8,12-13,15-16H2,1H3,(H,32,36)(H4,28,29,31)/t19?,20-,22+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14091
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-3-(4-carbam...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)C(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H34N6O3S/c1-35-25(19-20-8-3-2-4-9-20)32(41)38-17-7-11-26(38)30(40)36-24(18-21-13-15-22(16-14-21)29(33)34)28(39)31-37-23-10-5-6-12-27(23)42-31/h2-6,8-10,12-16,24-26,35H,7,11,17-19H2,1H3,(H3,33,34)(H,36,40)/t24-,25+,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14090
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-6-carbamimi...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C29H37N7O3S/c1-32-22(18-19-10-3-2-4-11-19)28(39)36-17-9-14-23(36)26(38)34-21(13-7-8-16-33-29(30)31)25(37)27-35-20-12-5-6-15-24(20)40-27/h2-6,10-12,15,21-23,32H,7-9,13-14,16-18H2,1H3,(H,34,38)(H4,30,31,33)/t21-,22+,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 630n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14090
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-6-carbamimi...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C29H37N7O3S/c1-32-22(18-19-10-3-2-4-11-19)28(39)36-17-9-14-23(36)26(38)34-21(13-7-8-16-33-29(30)31)25(37)27-35-20-12-5-6-15-24(20)40-27/h2-6,10-12,15,21-23,32H,7-9,13-14,16-18H2,1H3,(H,34,38)(H4,30,31,33)/t21-,22+,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14080
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C20H26N6O3S/c1-12(27)26-11-5-8-15(26)18(29)24-14(7-4-10-23-20(21)22)17(28)19-25-13-6-2-3-9-16(13)30-19/h2-3,6,9,14-15H,4-5,7-8,10-11H2,1H3,(H,24,29)(H4,21,22,23)/t14?,15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14140
PNG
((2S)-1-[(2S)-2-amino-3-phenylpropanoyl]-N-[1-(1,3-...)
Show SMILES [#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C27H33N7O3S/c28-18(16-17-8-2-1-3-9-17)26(37)34-15-7-12-21(34)24(36)32-20(11-6-14-31-27(29)30)23(35)25-33-19-10-4-5-13-22(19)38-25/h1-5,8-10,13,18,20-21H,6-7,11-12,14-16,28H2,(H,32,36)(H4,29,30,31)/t18-,20?,21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14134
PNG
((2S)-N-[(1S)-1-(4-aminocyclohexyl)-3-(1,3-benzothi...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)c1nc2ccccc2s1)C1CC[C@H](N)CC1 |r,wU:20.21,16.18,2.1,wD:36.40,(-7.01,6.07,;-5.67,6.84,;-4.34,6.07,;-4.34,4.53,;-5.67,3.76,;-7.01,4.53,;-8.34,3.76,;-8.34,2.22,;-7.01,1.45,;-5.67,2.22,;-3.01,6.84,;-3.01,8.38,;-1.67,6.07,;-1.67,7.61,;-.34,8.38,;.64,7.4,;-.13,6.07,;.64,4.74,;-.13,3.4,;2.18,4.74,;3.51,3.97,;4.84,4.74,;6.18,3.97,;6.18,2.43,;7.51,4.74,;7.04,6.2,;8.28,7.11,;8.44,8.64,;9.85,9.26,;11.1,8.36,;10.93,6.83,;9.53,6.2,;9.05,4.74,;3.51,2.43,;4.84,1.66,;4.84,.12,;3.51,-.65,;3.51,-2.19,;2.18,.12,;2.18,1.66,)|
Show InChI InChI=1S/C31H39N5O3S/c1-33-25(18-20-8-3-2-4-9-20)31(39)36-17-7-11-26(36)29(38)34-24(21-13-15-22(32)16-14-21)19-27(37)30-35-23-10-5-6-12-28(23)40-30/h2-6,8-10,12,21-22,24-26,33H,7,11,13-19,32H2,1H3,(H,34,38)/t21?,22-,24-,25+,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14107
PNG
((2S)-N-[(2R)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H37N7O2S/c1-31-22(17-19-9-3-2-4-10-19)27(37)35-16-8-13-23(35)26(36)33-20(11-7-15-32-28(29)30)18-25-34-21-12-5-6-14-24(21)38-25/h2-6,9-10,12,14,20,22-23,31H,7-8,11,13,15-18H2,1H3,(H,33,36)(H4,29,30,32)/t20-,22-,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14106
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H37N7O2S/c1-31-22(17-19-9-3-2-4-10-19)27(37)35-16-8-13-23(35)26(36)33-20(11-7-15-32-28(29)30)18-25-34-21-12-5-6-14-24(21)38-25/h2-6,9-10,12,14,20,22-23,31H,7-8,11,13,15-18H2,1H3,(H,33,36)(H4,29,30,32)/t20-,22+,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14082
PNG
(2-ketobenzothiazole 22 | N-[1-(1,3-benzothiazol-2-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6]=O)-[#6](=O)-c1nc2ccccc2s1
Show InChI InChI=1S/C14H17N5O2S/c15-14(16)17-7-3-5-10(18-8-20)12(21)13-19-9-4-1-2-6-11(9)22-13/h1-2,4,6,8,10H,3,5,7H2,(H,18,20)(H4,15,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14106
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H37N7O2S/c1-31-22(17-19-9-3-2-4-10-19)27(37)35-16-8-13-23(35)26(36)33-20(11-7-15-32-28(29)30)18-25-34-21-12-5-6-14-24(21)38-25/h2-6,9-10,12,14,20,22-23,31H,7-8,11,13,15-18H2,1H3,(H,33,36)(H4,29,30,32)/t20-,22+,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14133
PNG
((2S)-N-[(1R)-1-(4-aminocyclohexyl)-3-(1,3-benzothi...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)c1nc2ccccc2s1)C1CC[C@H](N)CC1 |r,wU:16.18,2.1,36.40,wD:20.21,(-7.01,6.07,;-5.67,6.84,;-4.34,6.07,;-4.34,4.53,;-5.67,3.76,;-7.01,4.53,;-8.34,3.76,;-8.34,2.22,;-7.01,1.45,;-5.67,2.22,;-3.01,6.84,;-3.01,8.38,;-1.67,6.07,;-1.67,7.61,;-.34,8.38,;.64,7.4,;-.13,6.07,;.64,4.74,;-.13,3.4,;2.18,4.74,;3.51,3.97,;4.84,4.74,;6.18,3.97,;6.18,2.43,;7.51,4.74,;7.04,6.2,;8.28,7.11,;8.44,8.64,;9.85,9.26,;11.1,8.36,;10.93,6.83,;9.53,6.2,;9.05,4.74,;3.51,2.43,;2.18,1.66,;2.18,.12,;3.51,-.65,;3.51,-2.19,;4.84,.12,;4.84,1.66,)|
Show InChI InChI=1S/C31H39N5O3S/c1-33-25(18-20-8-3-2-4-9-20)31(39)36-17-7-11-26(36)29(38)34-24(21-13-15-22(32)16-14-21)19-27(37)30-35-23-10-5-6-12-28(23)40-30/h2-6,8-10,12,21-22,24-26,33H,7,11,13-19,32H2,1H3,(H,34,38)/t21?,22-,24-,25-,26+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14107
PNG
((2S)-N-[(2R)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H37N7O2S/c1-31-22(17-19-9-3-2-4-10-19)27(37)35-16-8-13-23(35)26(36)33-20(11-7-15-32-28(29)30)18-25-34-21-12-5-6-14-24(21)38-25/h2-6,9-10,12,14,20,22-23,31H,7-8,11,13,15-18H2,1H3,(H,33,36)(H4,29,30,32)/t20-,22-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14134
PNG
((2S)-N-[(1S)-1-(4-aminocyclohexyl)-3-(1,3-benzothi...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)c1nc2ccccc2s1)C1CC[C@H](N)CC1 |r,wU:20.21,16.18,2.1,wD:36.40,(-7.01,6.07,;-5.67,6.84,;-4.34,6.07,;-4.34,4.53,;-5.67,3.76,;-7.01,4.53,;-8.34,3.76,;-8.34,2.22,;-7.01,1.45,;-5.67,2.22,;-3.01,6.84,;-3.01,8.38,;-1.67,6.07,;-1.67,7.61,;-.34,8.38,;.64,7.4,;-.13,6.07,;.64,4.74,;-.13,3.4,;2.18,4.74,;3.51,3.97,;4.84,4.74,;6.18,3.97,;6.18,2.43,;7.51,4.74,;7.04,6.2,;8.28,7.11,;8.44,8.64,;9.85,9.26,;11.1,8.36,;10.93,6.83,;9.53,6.2,;9.05,4.74,;3.51,2.43,;4.84,1.66,;4.84,.12,;3.51,-.65,;3.51,-2.19,;2.18,.12,;2.18,1.66,)|
Show InChI InChI=1S/C31H39N5O3S/c1-33-25(18-20-8-3-2-4-9-20)31(39)36-17-7-11-26(36)29(38)34-24(21-13-15-22(32)16-14-21)19-27(37)30-35-23-10-5-6-12-28(23)40-30/h2-6,8-10,12,21-22,24-26,33H,7,11,13-19,32H2,1H3,(H,34,38)/t21?,22-,24-,25+,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14104
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxohexan-...)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H34N4O3S/c1-3-4-13-21(25(33)27-31-20-14-8-9-16-24(20)36-27)30-26(34)23-15-10-17-32(23)28(35)22(29-2)18-19-11-6-5-7-12-19/h5-9,11-12,14,16,21-23,29H,3-4,10,13,15,17-18H2,1-2H3,(H,30,34)/t21-,22+,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14133
PNG
((2S)-N-[(1R)-1-(4-aminocyclohexyl)-3-(1,3-benzothi...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)c1nc2ccccc2s1)C1CC[C@H](N)CC1 |r,wU:16.18,2.1,36.40,wD:20.21,(-7.01,6.07,;-5.67,6.84,;-4.34,6.07,;-4.34,4.53,;-5.67,3.76,;-7.01,4.53,;-8.34,3.76,;-8.34,2.22,;-7.01,1.45,;-5.67,2.22,;-3.01,6.84,;-3.01,8.38,;-1.67,6.07,;-1.67,7.61,;-.34,8.38,;.64,7.4,;-.13,6.07,;.64,4.74,;-.13,3.4,;2.18,4.74,;3.51,3.97,;4.84,4.74,;6.18,3.97,;6.18,2.43,;7.51,4.74,;7.04,6.2,;8.28,7.11,;8.44,8.64,;9.85,9.26,;11.1,8.36,;10.93,6.83,;9.53,6.2,;9.05,4.74,;3.51,2.43,;2.18,1.66,;2.18,.12,;3.51,-.65,;3.51,-2.19,;4.84,.12,;4.84,1.66,)|
Show InChI InChI=1S/C31H39N5O3S/c1-33-25(18-20-8-3-2-4-9-20)31(39)36-17-7-11-26(36)29(38)34-24(21-13-15-22(32)16-14-21)19-27(37)30-35-23-10-5-6-12-28(23)40-30/h2-6,8-10,12,21-22,24-26,33H,7,11,13-19,32H2,1H3,(H,34,38)/t21?,22-,24-,25-,26+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14084
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](=O)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C18H24N6O2S/c19-18(20)22-10-3-6-12(23-16(26)13-7-4-9-21-13)15(25)17-24-11-5-1-2-8-14(11)27-17/h1-2,5,8,12-13,21H,3-4,6-7,9-10H2,(H,23,26)(H4,19,20,22)/t12?,13-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14081
PNG
(2-ketobenzothiazole 21 | 3-[5-(1,3-benzothiazol-2-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6](=O)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H16N4OS/c14-13(15)16-8-4-3-6-10(18)12-17-9-5-1-2-7-11(9)19-12/h1-2,5,7H,3-4,6,8H2,(H4,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%