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Patent code US9687479

Compile Data Set for Download or QSAR

Found 520 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))
BDBM162654
PNG
(US9687479, 134 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES COc1ccccc1C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(CCc2ccccc2)c1=O
Show InChI InChI=1S/C29H25ClN4O3S/c1-37-25-12-6-5-10-23(25)29(36)34-27(31-19-21-13-14-26(30)38-21)18-24(32-34)22-11-7-16-33(28(22)35)17-15-20-8-3-2-4-9-20/h2-14,16,18,31H,15,17,19H2,1H3
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VERSEON CORPORATION

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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162677
PNG
(US9687479, 157 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES CC1(CCOCC1)C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(Cc2cccs2)c1=O
Show InChI InChI=1S/C25H25ClN4O3S2/c1-25(8-11-33-12-9-25)24(32)30-22(27-15-17-6-7-21(26)35-17)14-20(28-30)19-5-2-10-29(23(19)31)16-18-4-3-13-34-18/h2-7,10,13-14,27H,8-9,11-12,15-16H2,1H3
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162687
PNG
(US9687479, 167 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccco2)-c2cccn(Cc3ncccn3)c2=O)s1
Show InChI InChI=1S/C23H17ClN6O3S/c24-19-7-6-15(34-19)13-27-21-12-17(28-30(21)23(32)18-5-2-11-33-18)16-4-1-10-29(22(16)31)14-20-25-8-3-9-26-20/h1-12,27H,13-14H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162693
PNG
(US9687479, 173 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccoc2)-c2cccn(Cc3ccoc3)c2=O)s1
Show InChI InChI=1S/C23H17ClN4O4S/c24-20-4-3-17(33-20)11-25-21-10-19(26-28(21)22(29)16-6-9-32-14-16)18-2-1-7-27(23(18)30)12-15-5-8-31-13-15/h1-10,13-14,25H,11-12H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163254
PNG
(US9687479, 181 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccoc2)-c2cccn(CCN3CCOCC3)c2=O)s1
Show InChI InChI=1S/C24H24ClN5O4S/c25-21-4-3-18(35-21)15-26-22-14-20(27-30(22)23(31)17-5-11-34-16-17)19-2-1-6-29(24(19)32)8-7-28-9-12-33-13-10-28/h1-6,11,14,16,26H,7-10,12-13,15H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163261
PNG
(US9687479, 186 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2cccs2)-c2cccn(Cc3ccccn3)c2=O)s1
Show InChI InChI=1S/C24H18ClN5O2S2/c25-21-9-8-17(34-21)14-27-22-13-19(28-30(22)24(32)20-7-4-12-33-20)18-6-3-11-29(23(18)31)15-16-5-1-2-10-26-16/h1-13,27H,14-15H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163264
PNG
(US9687479, 188 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2cccs2)-c2cccn(Cc3ccncc3)c2=O)s1
Show InChI InChI=1S/C24H18ClN5O2S2/c25-21-6-5-17(34-21)14-27-22-13-19(28-30(22)24(32)20-4-2-12-33-20)18-3-1-11-29(23(18)31)15-16-7-9-26-10-8-16/h1-13,27H,14-15H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163268
PNG
(US9687479, 191 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2cccs2)-c2cccn(Cc3ccsc3)c2=O)s1
Show InChI InChI=1S/C23H17ClN4O2S3/c24-20-6-5-16(33-20)12-25-21-11-18(26-28(21)23(30)19-4-2-9-32-19)17-3-1-8-27(22(17)29)13-15-7-10-31-14-15/h1-11,14,25H,12-13H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163276
PNG
(US9687479, 198 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccsc2)-c2cccn(Cc3ccccn3)c2=O)s1
Show InChI InChI=1S/C24H18ClN5O2S2/c25-21-7-6-18(34-21)13-27-22-12-20(28-30(22)23(31)16-8-11-33-15-16)19-5-3-10-29(24(19)32)14-17-4-1-2-9-26-17/h1-12,15,27H,13-14H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163280
PNG
(US9687479, 201 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccsc2)-c2cccn(Cc3ncccn3)c2=O)s1
Show InChI InChI=1S/C23H17ClN6O2S2/c24-19-5-4-16(34-19)12-27-21-11-18(28-30(21)22(31)15-6-10-33-14-15)17-3-1-9-29(23(17)32)13-20-25-7-2-8-26-20/h1-11,14,27H,12-13H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163292
PNG
(US9687479, 209 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccc(cc2)N2CCOCC2)-c2cccn(Cc3ccco3)c2=O)s1
Show InChI InChI=1S/C29H26ClN5O4S/c30-26-10-9-23(40-26)18-31-27-17-25(24-4-1-11-34(29(24)37)19-22-3-2-14-39-22)32-35(27)28(36)20-5-7-21(8-6-20)33-12-15-38-16-13-33/h1-11,14,17,31H,12-13,15-16,18-19H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163297
PNG
(US9687479, 213 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccc(cc2)N2CCOCC2)-c2cccn(Cc3cccnc3)c2=O)s1
Show InChI InChI=1S/C30H27ClN6O3S/c31-27-10-9-24(41-27)19-33-28-17-26(25-4-2-12-36(30(25)39)20-21-3-1-11-32-18-21)34-37(28)29(38)22-5-7-23(8-6-22)35-13-15-40-16-14-35/h1-12,17-18,33H,13-16,19-20H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163300
PNG
(US9687479, 215 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccc(cc2)N2CCOCC2)-c2cccn(Cc3ncccn3)c2=O)s1
Show InChI InChI=1S/C29H26ClN7O3S/c30-25-9-8-22(41-25)18-33-27-17-24(23-3-1-12-36(29(23)39)19-26-31-10-2-11-32-26)34-37(27)28(38)20-4-6-21(7-5-20)35-13-15-40-16-14-35/h1-12,17,33H,13-16,18-19H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163341
PNG
(US9687479, 244 3-1-[(2-chlorophenyl)carbonyl]-5-[(...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccccc2Cl)-c2cccn(Cc3ccsc3)c2=O)s1
Show InChI InChI=1S/C25H18Cl2N4O2S2/c26-20-6-2-1-4-18(20)25(33)31-23(28-13-17-7-8-22(27)35-17)12-21(29-31)19-5-3-10-30(24(19)32)14-16-9-11-34-15-16/h1-12,15,28H,13-14H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163337
PNG
(US9687479, 241 3-1-[(2-aminophenyl)carbonyl]-5-[(5...)
Show SMILES Nc1ccccc1C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccnc1=O
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163338
PNG
(US9687479, 242 3-1-[(2-chlorophenyl)carbonyl]-5-[(...)
Show SMILES COCCn1cccc(-c2cc(NCc3ccc(Cl)s3)n(n2)C(=O)c2ccccc2Cl)c1=O
Show InChI InChI=1S/C23H20Cl2N4O3S/c1-32-12-11-28-10-4-6-17(22(28)30)19-13-21(26-14-15-8-9-20(25)33-15)29(27-19)23(31)16-5-2-3-7-18(16)24/h2-10,13,26H,11-12,14H2,1H3
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163345
PNG
(US9687479, 246 3-1-[(2-chlorophenyl)carbonyl]-5-[(...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccccc2Cl)-c2cccn(Cc3ccccn3)c2=O)s1
Show InChI InChI=1S/C26H19Cl2N5O2S/c27-21-9-2-1-7-19(21)26(35)33-24(30-15-18-10-11-23(28)36-18)14-22(31-33)20-8-5-13-32(25(20)34)16-17-6-3-4-12-29-17/h1-14,30H,15-16H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163348
PNG
(US9687479, 248 3-1-[(2-chlorophenyl)carbonyl]-5-[(...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccccc2Cl)-c2cccn(Cc3ccncc3)c2=O)s1
Show InChI InChI=1S/C26H19Cl2N5O2S/c27-21-6-2-1-4-19(21)26(35)33-24(30-15-18-7-8-23(28)36-18)14-22(31-33)20-5-3-13-32(25(20)34)16-17-9-11-29-12-10-17/h1-14,30H,15-16H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163360
PNG
(US9687479, 257 ethyl 2-[3-(5-[(5-chlorothiophen-2-...)
Show SMILES CCOC(=O)Cn1cccc(-c2cc(NCc3ccc(Cl)s3)n(n2)C(=O)C(C)(C)C)c1=O
Show InChI InChI=1S/C22H25ClN4O4S/c1-5-31-19(28)13-26-10-6-7-15(20(26)29)16-11-18(24-12-14-8-9-17(23)32-14)27(25-16)21(30)22(2,3)4/h6-11,24H,5,12-13H2,1-4H3
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163367
PNG
(US9687479, 262 tert-butyl 2-[3-(5-[(5-chlorothioph...)
Show SMILES COc1ccccc1C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(CC(=O)OC(C)(C)C)c1=O
Show InChI InChI=1S/C27H27ClN4O5S/c1-27(2,3)37-24(33)16-31-13-7-9-18(25(31)34)20-14-23(29-15-17-11-12-22(28)38-17)32(30-20)26(35)19-8-5-6-10-21(19)36-4/h5-14,29H,15-16H2,1-4H3
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM163346
PNG
(US9687479, 247 3-1-[(2-chlorophenyl)carbonyl]-5-[(...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccccc2Cl)-c2cccn(Cc3cccnc3)c2=O)s1
Show InChI InChI=1S/C26H19Cl2N5O2S/c27-21-8-2-1-6-19(21)26(35)33-24(30-15-18-9-10-23(28)36-18)13-22(31-33)20-7-4-12-32(25(20)34)16-17-5-3-11-29-14-17/h1-14,30H,15-16H2
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Assay Description
Human KLKB1 protein was obtained from Enzyme Research Labs. The chromogenic substrate S-2302 was obtained from DiaPharma. KLKB1 was assayed in buffer...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162369
PNG
(US9687479, 6 3-(5-[(5-chlorothiophen-2-yl)methyl]a...)
Show SMILES Clc1ccsc1CNc1cc(nn1C(=O)c1ccoc1)-c1cccn(Cc2ccncc2)c1=O
Show InChI InChI=1S/C24H18ClN5O3S/c25-19-6-11-34-21(19)13-27-22-12-20(28-30(22)23(31)17-5-10-33-15-17)18-2-1-9-29(24(18)32)14-16-3-7-26-8-4-16/h1-12,15,27H,13-14H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162568
PNG
(US9687479, 48 1-benzyl-3-(5-[(5-chlorothiophen-2-y...)
Show SMILES CC1(CCOCC1)C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(Cc2ccccc2)c1=O
Show InChI InChI=1S/C27H27ClN4O3S/c1-27(11-14-35-15-12-27)26(34)32-24(29-17-20-9-10-23(28)36-20)16-22(30-32)21-8-5-13-31(25(21)33)18-19-6-3-2-4-7-19/h2-10,13,16,29H,11-12,14-15,17-18H2,1H3
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


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More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162573
PNG
(US9687479, 53 1-benzyl-3-(5-[(5-chlorothiophen-2-y...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccc(cc2)N2CCOCC2)-c2cccn(Cc3ccccc3)c2=O)s1
Show InChI InChI=1S/C31H28ClN5O3S/c32-28-13-12-25(41-28)20-33-29-19-27(26-7-4-14-36(31(26)39)21-22-5-2-1-3-6-22)34-37(29)30(38)23-8-10-24(11-9-23)35-15-17-40-18-16-35/h1-14,19,33H,15-18,20-21H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


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More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162583
PNG
(US9687479, 63 3-(1-benzoyl-5-[(5-chlorothiophen-2-...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccccc2)-c2cccn(Cc3ccco3)c2=O)s1
Show InChI InChI=1S/C25H19ClN4O3S/c26-22-11-10-19(34-22)15-27-23-14-21(28-30(23)24(31)17-6-2-1-3-7-17)20-9-4-12-29(25(20)32)16-18-8-5-13-33-18/h1-14,27H,15-16H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162631
PNG
(US9687479, 111 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2cccc3OCCOc23)-c2cccn(Cc3ccoc3)c2=O)s1
Show InChI InChI=1S/C27H21ClN4O5S/c28-23-7-6-18(38-23)14-29-24-13-21(19-4-2-9-31(26(19)33)15-17-8-10-35-16-17)30-32(24)27(34)20-3-1-5-22-25(20)37-12-11-36-22/h1-10,13,16,29H,11-12,14-15H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162635
PNG
(US9687479, 115 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2cccc3OCCOc23)-c2cccn(Cc3ccncc3)c2=O)s1
Show InChI InChI=1S/C28H22ClN5O4S/c29-24-7-6-19(39-24)16-31-25-15-22(20-4-2-12-33(27(20)35)17-18-8-10-30-11-9-18)32-34(25)28(36)21-3-1-5-23-26(21)38-14-13-37-23/h1-12,15,31H,13-14,16-17H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162637
PNG
(US9687479, 117 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2cccc3OCCOc23)-c2cccn(Cc3cccs3)c2=O)s1
Show InChI InChI=1S/C27H21ClN4O4S2/c28-23-9-8-17(38-23)15-29-24-14-21(19-6-2-10-31(26(19)33)16-18-4-3-13-37-18)30-32(24)27(34)20-5-1-7-22-25(20)36-12-11-35-22/h1-10,13-14,29H,11-12,15-16H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162640
PNG
(US9687479, 120 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Cn1cccc(-c2cc(NCc3ccc(Cl)s3)n(n2)C(=O)c2cccc3OCCOc23)c1=O
Show InChI InChI=1S/C23H19ClN4O4S/c1-27-9-3-5-15(22(27)29)17-12-20(25-13-14-7-8-19(24)33-14)28(26-17)23(30)16-4-2-6-18-21(16)32-11-10-31-18/h2-9,12,25H,10-11,13H2,1H3
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162646
PNG
(US9687479, 126 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES COc1ccc(C(=O)n2nc(cc2NCc2ccc(Cl)s2)-c2cccn(Cc3cccnc3)c2=O)c(OC)c1
Show InChI InChI=1S/C28H24ClN5O4S/c1-37-19-7-9-22(24(13-19)38-2)28(36)34-26(31-16-20-8-10-25(29)39-20)14-23(32-34)21-6-4-12-33(27(21)35)17-18-5-3-11-30-15-18/h3-15,31H,16-17H2,1-2H3
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162649
PNG
(US9687479, 129 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES COc1ccc(C(=O)n2nc(cc2NCc2ccc(Cl)s2)-c2cccn(Cc3cccs3)c2=O)c(OC)c1
Show InChI InChI=1S/C27H23ClN4O4S2/c1-35-17-7-9-21(23(13-17)36-2)27(34)32-25(29-15-18-8-10-24(28)38-18)14-22(30-32)20-6-3-11-31(26(20)33)16-19-5-4-12-37-19/h3-14,29H,15-16H2,1-2H3
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162653
PNG
(US9687479, 133 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES COCCn1cccc(-c2cc(NCc3ccc(Cl)s3)n(n2)C(=O)c2ccccc2OC)c1=O
Show InChI InChI=1S/C24H23ClN4O4S/c1-32-13-12-28-11-5-7-17(23(28)30)19-14-22(26-15-16-9-10-21(25)34-16)29(27-19)24(31)18-6-3-4-8-20(18)33-2/h3-11,14,26H,12-13,15H2,1-2H3
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162659
PNG
(US9687479, 139 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES COc1ccccc1C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(Cc2ccccn2)c1=O
Show InChI InChI=1S/C27H22ClN5O3S/c1-36-23-10-3-2-8-21(23)27(35)33-25(30-16-19-11-12-24(28)37-19)15-22(31-33)20-9-6-14-32(26(20)34)17-18-7-4-5-13-29-18/h2-15,30H,16-17H2,1H3
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162686
PNG
(US9687479, 166 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccco2)-c2cccn(Cc3ccncc3)c2=O)s1
Show InChI InChI=1S/C24H18ClN5O3S/c25-21-6-5-17(34-21)14-27-22-13-19(28-30(22)24(32)20-4-2-12-33-20)18-3-1-11-29(23(18)31)15-16-7-9-26-10-8-16/h1-13,27H,14-15H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162652
PNG
(US9687479, 132 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES COc1ccccc1C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccnc1=O
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162689
PNG
(US9687479, 169 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccco2)-c2cccn(Cc3ccsc3)c2=O)s1
Show InChI InChI=1S/C23H17ClN4O3S2/c24-20-6-5-16(33-20)12-25-21-11-18(26-28(21)23(30)19-4-2-9-31-19)17-3-1-8-27(22(17)29)13-15-7-10-32-14-15/h1-11,14,25H,12-13H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162694
PNG
(US9687479, 174 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccoc2)-c2cccn(Cc3cccc4ccccc34)c2=O)s1
Show InChI InChI=1S/C29H21ClN4O3S/c30-26-11-10-22(38-26)16-31-27-15-25(32-34(27)28(35)21-12-14-37-18-21)24-9-4-13-33(29(24)36)17-20-7-3-6-19-5-1-2-8-23(19)20/h1-15,18,31H,16-17H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162695
PNG
(US9687479, 175 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccoc2)-c2cccn(Cc3ccc4ccccc4c3)c2=O)s1
Show InChI InChI=1S/C29H21ClN4O3S/c30-26-10-9-23(38-26)16-31-27-15-25(32-34(27)28(35)22-11-13-37-18-22)24-6-3-12-33(29(24)36)17-19-7-8-20-4-1-2-5-21(20)14-19/h1-15,18,31H,16-17H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163257
PNG
(US9687479, 183 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2cccs2)-c2cccn(Cc3ccco3)c2=O)s1
Show InChI InChI=1S/C23H17ClN4O3S2/c24-20-8-7-16(33-20)13-25-21-12-18(26-28(21)23(30)19-6-3-11-32-19)17-5-1-9-27(22(17)29)14-15-4-2-10-31-15/h1-12,25H,13-14H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163271
PNG
(US9687479, 193 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccsc2)-c2cccnc2=O)s1
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163341
PNG
(US9687479, 244 3-1-[(2-chlorophenyl)carbonyl]-5-[(...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccccc2Cl)-c2cccn(Cc3ccsc3)c2=O)s1
Show InChI InChI=1S/C25H18Cl2N4O2S2/c26-20-6-2-1-4-18(20)25(33)31-23(28-13-17-7-8-22(27)35-17)12-21(29-31)19-5-3-10-30(24(19)32)14-16-9-11-34-15-16/h1-12,15,28H,13-14H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163346
PNG
(US9687479, 247 3-1-[(2-chlorophenyl)carbonyl]-5-[(...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccccc2Cl)-c2cccn(Cc3cccnc3)c2=O)s1
Show InChI InChI=1S/C26H19Cl2N5O2S/c27-21-8-2-1-6-19(21)26(35)33-24(30-15-18-9-10-23(28)36-18)13-22(31-33)20-7-4-12-32(25(20)34)16-17-5-3-11-29-14-17/h1-14,30H,15-16H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM163353
PNG
(US9687479, 252 3-1-[(2-chlorophenyl)carbonyl]-5-[(...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccccc2Cl)-c2cccn(CCN3CCOCC3)c2=O)s1
Show InChI InChI=1S/C26H25Cl2N5O3S/c27-21-6-2-1-4-19(21)26(35)33-24(29-17-18-7-8-23(28)37-18)16-22(30-33)20-5-3-9-32(25(20)34)11-10-31-12-14-36-15-13-31/h1-9,16,29H,10-15,17H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162371
PNG
(US9687479, 25 3-(5-[(5-chlorothiophen-2-yl)methyl]...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccoc2)-c2cccn(Cc3ccccn3)c2=O)s1
Show InChI InChI=1S/C24H18ClN5O3S/c25-21-7-6-18(34-21)13-27-22-12-20(28-30(22)23(31)16-8-11-33-15-16)19-5-3-10-29(24(19)32)14-17-4-1-2-9-26-17/h1-12,15,27H,13-14H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162372
PNG
(US9687479, 26 3-(5-[(5-chlorothiophen-2-yl)methyl]...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccoc2)-c2cccn(Cc3ccco3)c2=O)s1
Show InChI InChI=1S/C23H17ClN4O4S/c24-20-6-5-17(33-20)12-25-21-11-19(26-28(21)22(29)15-7-10-31-14-15)18-4-1-8-27(23(18)30)13-16-3-2-9-32-16/h1-11,14,25H,12-13H2
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Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162406
PNG
(US9687479, 31 1-[(3-chlorophenyl)methyl]-3-(5-[(5-...)
Show SMILES CC(C)(C)C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(Cc2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C25H24Cl2N4O2S/c1-25(2,3)24(33)31-22(28-14-18-9-10-21(27)34-18)13-20(29-31)19-8-5-11-30(23(19)32)15-16-6-4-7-17(26)12-16/h4-13,28H,14-15H2,1-3H3
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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



VERSEON CORPORATION

US Patent


Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162559
PNG
(US9687479, 39 1-[(5-chlorothiophen-2-yl)methyl]-3-...)
Show SMILES CC(C)(C)C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(Cc2ccc(Cl)s2)c1=O
Show InChI InChI=1S/C23H22Cl2N4O2S2/c1-23(2,3)22(31)29-20(26-12-14-6-8-18(24)32-14)11-17(27-29)16-5-4-10-28(21(16)30)13-15-7-9-19(25)33-15/h4-11,26H,12-13H2,1-3H3
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US Patent
n/an/a<100n/an/an/an/an/an/a



VERSEON CORPORATION

US Patent


Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162564
PNG
(US9687479, 44 1-benzyl-3-(5-[(5-chlorothiophen-2-y...)
Show SMILES COCC(C)(C)C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(Cc2ccccc2)c1=O
Show InChI InChI=1S/C26H27ClN4O3S/c1-26(2,17-34-3)25(33)31-23(28-15-19-11-12-22(27)35-19)14-21(29-31)20-10-7-13-30(24(20)32)16-18-8-5-4-6-9-18/h4-14,28H,15-17H2,1-3H3
PDB

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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



VERSEON CORPORATION

US Patent


Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162571
PNG
(US9687479, 51 1-benzyl-3-(5-[(5-chlorothiophen-2-y...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2cccs2)-c2cccn(Cc3ccccc3)c2=O)s1
Show InChI InChI=1S/C25H19ClN4O2S2/c26-22-11-10-18(34-22)15-27-23-14-20(28-30(23)25(32)21-9-5-13-33-21)19-8-4-12-29(24(19)31)16-17-6-2-1-3-7-17/h1-14,27H,15-16H2
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



VERSEON CORPORATION

US Patent


Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM162591
PNG
(US9687479, 71 3-(1-benzoyl-5-[(5-chlorothiophen-2-...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccccc2)-c2cccn(Cc3ccsc3)c2=O)s1
Show InChI InChI=1S/C25H19ClN4O2S2/c26-22-9-8-19(34-22)14-27-23-13-21(28-30(23)24(31)18-5-2-1-3-6-18)20-7-4-11-29(25(20)32)15-17-10-12-33-16-17/h1-13,16,27H,14-15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



VERSEON CORPORATION

US Patent


Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


Citation and Details
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%