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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50035274   
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))		BDBM50110382
PNG
(P1 argininal derivative | [amino({[(4S)-4-carboxy-...)
Show SMILES NC(=[NH2+])NCCC[C@H](NC(=O)CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C21H32N6O6S/c22-21(23)24-11-6-10-17(20(30)31)25-18(28)13-27-12-5-4-9-16(19(27)29)26-34(32,33)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,26H,4-6,9-14H2,(H,25,28)(H,30,31)(H4,22,23,24)/p+1/t16-,17-/m0/s1
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 0.540n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110393
PNG
(5-{3-[(S)-3-(2,3-Dihydro-benzofuran-5-sulfonylamin...)
Show SMILES NC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)s1
Show InChI InChI=1S/C22H26N4O5S2/c23-21(24)20-7-4-16(32-20)12-15(27)13-26-9-2-1-3-18(22(26)28)25-33(29,30)17-5-6-19-14(11-17)8-10-31-19/h4-7,11,18,25H,1-3,8-10,12-13H2,(H3,23,24)/t18-/m0/s1
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 0.600n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110394
PNG
(P1 argininal derivative | [amino({[(4S)-4-carboxy-...)
Show SMILES COC(=O)c1ccccc1CS(=O)(=O)N[C@H]1CCCCN(CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(O)=O)C1=O
Show InChI InChI=1S/C23H34N6O8S/c1-37-22(34)16-8-3-2-7-15(16)14-38(35,36)28-17-9-4-5-12-29(20(17)31)13-19(30)27-18(21(32)33)10-6-11-26-23(24)25/h2-3,7-8,17-18,28H,4-6,9-14H2,1H3,(H,27,30)(H,32,33)(H4,24,25,26)/p+1/t17-,18-/m0/s1
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 0.950n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110389
PNG
(4-{3-[(S)-3-(2,3-Dihydro-benzofuran-5-sulfonylamin...)
Show SMILES NC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)cc1
Show InChI InChI=1S/C24H28N4O5S/c25-23(26)17-6-4-16(5-7-17)13-19(29)15-28-11-2-1-3-21(24(28)30)27-34(31,32)20-8-9-22-18(14-20)10-12-33-22/h4-9,14,21,27H,1-3,10-13,15H2,(H3,25,26)/t21-/m0/s1
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 6.20n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110386
PNG
(4-{3-[(S)-3-(2,5-Dimethoxy-benzenesulfonylamino)-2...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N[C@H]1CCCCN(CC(=O)Cc2ccc(cc2)C(N)=N)C1=O
Show InChI InChI=1S/C24H30N4O6S/c1-33-19-10-11-21(34-2)22(14-19)35(31,32)27-20-5-3-4-12-28(24(20)30)15-18(29)13-16-6-8-17(9-7-16)23(25)26/h6-11,14,20,27H,3-5,12-13,15H2,1-2H3,(H3,25,26)/t20-/m0/s1
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 9n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110387
PNG
(4-{2-[(S)-5-((S)-2,3-Dihydro-benzofuran-5-sulfonyl...)
Show SMILES NC(=N)N1CCC(CC(=O)[C@@H]2Cc3cccc4CC[C@H](NS(=O)(=O)c5ccc6OCCc6c5)C(=O)N2c34)CC1
Show InChI InChI=1S/C28H33N5O5S/c29-28(30)32-11-8-17(9-12-32)14-24(34)23-16-20-3-1-2-18-4-6-22(27(35)33(23)26(18)20)31-39(36,37)21-5-7-25-19(15-21)10-13-38-25/h1-3,5,7,15,17,22-23,31H,4,6,8-14,16H2,(H3,29,30)/t22-,23-/m0/s1
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 11n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110392
PNG
(4-{3-[(S)-3-(3,4-Dimethoxy-benzenesulfonylamino)-2...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CCCCN(CC(=O)Cc2ccc(cc2)C(N)=N)C1=O
Show InChI InChI=1S/C24H30N4O6S/c1-33-21-11-10-19(14-22(21)34-2)35(31,32)27-20-5-3-4-12-28(24(20)30)15-18(29)13-16-6-8-17(9-7-16)23(25)26/h6-11,14,20,27H,3-5,12-13,15H2,1-2H3,(H3,25,26)/t20-/m0/s1
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 13n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110379
PNG
(4-{3-[(S)-3-(2,3-Dihydro-benzofuran-5-sulfonylamin...)
Show SMILES NC(=N)c1ccc(CC(=O)CN2c3ccccc3CC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)cc1
Show InChI InChI=1S/C28H28N4O5S/c29-27(30)20-7-5-18(6-8-20)15-22(33)17-32-25-4-2-1-3-19(25)9-11-24(28(32)34)31-38(35,36)23-10-12-26-21(16-23)13-14-37-26/h1-8,10,12,16,24,31H,9,11,13-15,17H2,(H3,29,30)/t24-/m0/s1
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 14n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110391
PNG
(4-[3-((S)-3-Benzenesulfonylamino-2-oxo-azepan-1-yl...)
Show SMILES NC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C22H26N4O4S/c23-21(24)17-11-9-16(10-12-17)14-18(27)15-26-13-5-4-8-20(22(26)28)25-31(29,30)19-6-2-1-3-7-19/h1-3,6-7,9-12,20,25H,4-5,8,13-15H2,(H3,23,24)/t20-/m0/s1
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 19n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110385
PNG
(4-[2-Oxo-3-((S)-2-oxo-3-phenylmethanesulfonylamino...)
Show SMILES NC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C23H28N4O4S/c24-22(25)19-11-9-17(10-12-19)14-20(28)15-27-13-5-4-8-21(23(27)29)26-32(30,31)16-18-6-2-1-3-7-18/h1-3,6-7,9-12,21,26H,4-5,8,13-16H2,(H3,24,25)/t21-/m0/s1
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 19n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110397
PNG
(4-{3-[(S)-3-(2,3-Dihydro-benzofuran-5-sulfonylamin...)
Show SMILES NC(=N)N1CCC(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)CC1
Show InChI InChI=1S/C23H33N5O5S/c24-23(25)27-10-6-16(7-11-27)13-18(29)15-28-9-2-1-3-20(22(28)30)26-34(31,32)19-4-5-21-17(14-19)8-12-33-21/h4-5,14,16,20,26H,1-3,6-13,15H2,(H3,24,25)/t20-/m0/s1
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 24n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110374
PNG
(4-{3-[(S)-3-(2,3-Dihydro-benzofuran-5-sulfonylamin...)
Show SMILES NC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)c(F)c1
Show InChI InChI=1S/C24H27FN4O5S/c25-20-13-17(23(26)27)5-4-15(20)11-18(30)14-29-9-2-1-3-21(24(29)31)28-35(32,33)19-6-7-22-16(12-19)8-10-34-22/h4-7,12-13,21,28H,1-3,8-11,14H2,(H3,26,27)/t21-/m0/s1
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 30n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110381
PNG
(2,3-Dihydro-benzofuran-5-sulfonic acid {(S)-1-[3-(...)
Show SMILES Cc1nc(N)ccc1CC(=O)CN1CCCC[C@H](NS(=O)(=O)c2ccc3OCCc3c2)C1=O
Show InChI InChI=1S/C23H28N4O5S/c1-15-16(5-8-22(24)25-15)12-18(28)14-27-10-3-2-4-20(23(27)29)26-33(30,31)19-6-7-21-17(13-19)9-11-32-21/h5-8,13,20,26H,2-4,9-12,14H2,1H3,(H2,24,25)/t20-/m0/s1
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 40n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110377
PNG
(2,3-Dihydro-benzofuran-5-sulfonic acid {(S)-1-[3-(...)
Show SMILES N[C@H]1CC[C@H](CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)CC1 |wU:14.14,4.4,wD:1.0,(19.96,-16.04,;18.83,-15.02,;18.83,-13.47,;17.49,-12.71,;16.16,-13.48,;14.83,-12.71,;14.83,-11.17,;15.71,-9.91,;13.29,-11.05,;12.64,-9.65,;13.62,-8.46,;13.29,-6.97,;11.91,-6.28,;10.51,-6.92,;10.16,-8.42,;8.65,-8.75,;7.21,-9.31,;7.76,-10.75,;6.67,-7.86,;5.87,-10.07,;5.85,-11.61,;4.52,-12.36,;3.19,-11.61,;1.7,-12.06,;.82,-10.79,;1.73,-9.56,;3.2,-10.05,;4.55,-9.28,;11.1,-9.63,;10.43,-11.03,;16.16,-15.02,;17.49,-15.8,)|
Show InChI InChI=1S/C23H33N3O5S/c24-18-6-4-16(5-7-18)13-19(27)15-26-11-2-1-3-21(23(26)28)25-32(29,30)20-8-9-22-17(14-20)10-12-31-22/h8-9,14,16,18,21,25H,1-7,10-13,15,24H2/t16-,18-,21-/m0/s1
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 53n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110396
PNG
(4-{3-[(S)-3-(2,3-Dihydro-benzofuran-5-sulfonylamin...)
Show SMILES NC(=N)N1CCC(CC(=O)CN2c3ccccc3CC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)CC1
Show InChI InChI=1S/C27H33N5O5S/c28-27(29)31-12-9-18(10-13-31)15-21(33)17-32-24-4-2-1-3-19(24)5-7-23(26(32)34)30-38(35,36)22-6-8-25-20(16-22)11-14-37-25/h1-4,6,8,16,18,23,30H,5,7,9-15,17H2,(H3,28,29)/t23-/m0/s1
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 61n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110388
PNG
(4-[3-((S)-3-Benzenesulfonylamino-2-oxo-azepan-1-yl...)
Show SMILES NC(=N)N1CCC(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)CC1
Show InChI InChI=1S/C21H31N5O4S/c22-21(23)25-12-9-16(10-13-25)14-17(27)15-26-11-5-4-8-19(20(26)28)24-31(29,30)18-6-2-1-3-7-18/h1-3,6-7,16,19,24H,4-5,8-15H2,(H3,22,23)/t19-/m0/s1
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 71n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110384
PNG
(4-{3-[(S)-3-(3,4-Dimethoxy-benzenesulfonylamino)-2...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CCCCN(CC(=O)CC2CCN(CC2)C(N)=N)C1=O
Show InChI InChI=1S/C23H35N5O6S/c1-33-20-7-6-18(14-21(20)34-2)35(31,32)26-19-5-3-4-10-28(22(19)30)15-17(29)13-16-8-11-27(12-9-16)23(24)25/h6-7,14,16,19,26H,3-5,8-13,15H2,1-2H3,(H3,24,25)/t19-/m0/s1
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 86n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110378
PNG
(CHEMBL350262 | N-{(S)-1-[3-(6-Amino-2-methyl-pyrid...)
Show SMILES Cc1nc(N)ccc1CC(=O)CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O
Show InChI InChI=1S/C22H28N4O4S/c1-16-18(10-11-21(23)24-16)13-19(27)14-26-12-6-5-9-20(22(26)28)25-31(29,30)15-17-7-3-2-4-8-17/h2-4,7-8,10-11,20,25H,5-6,9,12-15H2,1H3,(H2,23,24)/t20-/m0/s1
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 93n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110375
PNG
(4-{3-[(S)-3-(Naphthalene-2-sulfonylamino)-2-oxo-az...)
Show SMILES NC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)cc1
Show InChI InChI=1S/C26H28N4O4S/c27-25(28)20-10-8-18(9-11-20)15-22(31)17-30-14-4-3-7-24(26(30)32)29-35(33,34)23-13-12-19-5-1-2-6-21(19)16-23/h1-2,5-6,8-13,16,24,29H,3-4,7,14-15,17H2,(H3,27,28)/t24-/m0/s1
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 164n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110376
PNG
(4-{3-[(S)-3-(2,5-Dimethoxy-benzenesulfonylamino)-2...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N[C@H]1CCCCN(CC(=O)CC2CCN(CC2)C(N)=N)C1=O
Show InChI InChI=1S/C23H35N5O6S/c1-33-18-6-7-20(34-2)21(14-18)35(31,32)26-19-5-3-4-10-28(22(19)30)15-17(29)13-16-8-11-27(12-9-16)23(24)25/h6-7,14,16,19,26H,3-5,8-13,15H2,1-2H3,(H3,24,25)/t19-/m0/s1
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 167n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110390
PNG
(CHEMBL350117 | N-{(S)-1-[3-(4-Amino-cyclohexyl)-2-...)
Show SMILES N[C@H]1CC[C@H](CC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)CC1 |wU:14.14,4.4,wD:1.0,(19.47,-16.06,;18.32,-15.03,;18.32,-13.49,;16.97,-12.72,;15.64,-13.49,;14.31,-12.72,;14.31,-11.18,;15.2,-9.92,;12.77,-11.06,;12.12,-9.66,;13.1,-8.47,;12.77,-6.98,;11.39,-6.28,;9.99,-6.93,;9.64,-8.43,;8.13,-8.76,;6.68,-9.32,;6.14,-7.86,;7.24,-10.76,;5.35,-8.54,;4.02,-9.29,;4,-10.83,;2.67,-11.6,;1.34,-10.83,;1.36,-9.29,;2.69,-8.52,;10.58,-9.64,;9.9,-11.04,;15.64,-15.03,;16.97,-15.82,)|
Show InChI InChI=1S/C22H33N3O4S/c23-19-11-9-17(10-12-19)14-20(26)15-25-13-5-4-8-21(22(25)27)24-30(28,29)16-18-6-2-1-3-7-18/h1-3,6-7,17,19,21,24H,4-5,8-16,23H2/t17-,19-,21-/m0/s1
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 195n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110373
PNG
(4-{3-[(S)-3-(2,3-Dihydro-benzofuran-5-sulfonylamin...)
Show SMILES ONC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)cc1
Show InChI InChI=1S/C24H28N4O6S/c25-23(26-31)17-6-4-16(5-7-17)13-19(29)15-28-11-2-1-3-21(24(28)30)27-35(32,33)20-8-9-22-18(14-20)10-12-34-22/h4-9,14,21,27,31H,1-3,10-13,15H2,(H2,25,26)/t21-/m0/s1
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 240n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110395
PNG
(2,3-Dihydro-benzofuran-5-sulfonic acid {(S)-1-[3-(...)
Show SMILES O=C(CN1CCCC[C@H](NS(=O)(=O)c2ccc3OCCc3c2)C1=O)Cc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C24H26N4O5S/c29-19(12-16-4-6-21-18(11-16)14-25-26-21)15-28-9-2-1-3-22(24(28)30)27-34(31,32)20-5-7-23-17(13-20)8-10-33-23/h4-7,11,13-14,22,27H,1-3,8-10,12,15H2,(H,25,26)/t22-/m0/s1
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 283n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110383
PNG
(CHEMBL351941 | N-{(S)-1-[3-(6-Amino-2-methyl-pyrid...)
Show SMILES Cc1nc(N)ccc1CC(=O)CN1CCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H26N4O4S/c1-15-17(9-10-20(22)23-15)12-18(26)13-25-11-5-8-19(21(25)27)24-30(28,29)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,19,24H,5,8,11-14H2,1H3,(H2,22,23)/t19-/m0/s1
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>397n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50110380
PNG
(4-{3-[(S)-3-(2,3-Dihydro-benzofuran-5-sulfonylamin...)
Show SMILES ONC(=N)c1ccc(CC(=O)CN2c3ccccc3CC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)cc1
Show InChI InChI=1S/C28H28N4O6S/c29-27(30-35)20-7-5-18(6-8-20)15-22(33)17-32-25-4-2-1-3-19(25)9-11-24(28(32)34)31-39(36,37)23-10-12-26-21(16-23)13-14-38-26/h1-8,10,12,16,24,31,35H,9,11,13-15,17H2,(H2,29,30)/t24-/m0/s1
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>397n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro

Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair