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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50034216   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50358999
PNG
(CHEMBL1923892)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)Nc1cc(cc(Cl)c1CCC(=O)Nc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H26Cl2N4O4S/c1-14(2)32-10-9-20-22(13-32)37-25(31-20)24(34)30-21-12-15(26(35)36)11-19(28)18(21)7-8-23(33)29-17-5-3-16(27)4-6-17/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,29,33)(H,30,34)(H,35,36)
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n/an/a 0.380n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50359000
PNG
(CHEMBL1923893)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)Nc1cc(cc(c1CCC(=O)Nc1ccc(Cl)cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C27H26ClF3N4O4S/c1-14(2)35-10-9-20-22(13-35)40-25(34-20)24(37)33-21-12-15(26(38)39)11-19(27(29,30)31)18(21)7-8-23(36)32-17-5-3-16(28)4-6-17/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,32,36)(H,33,37)(H,38,39)
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n/an/a 0.480n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50359001
PNG
(CHEMBL1923894)
Show SMILES COc1cc(cc(NC(=O)c2nc3CCN(Cc3s2)C(C)C)c1CCC(=O)Nc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H29ClN4O5S/c1-15(2)32-11-10-20-23(14-32)38-26(31-20)25(34)30-21-12-16(27(35)36)13-22(37-3)19(21)8-9-24(33)29-18-6-4-17(28)5-7-18/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,29,33)(H,30,34)(H,35,36)
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n/an/a 0.540n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50359002
PNG
(CHEMBL1923895)
Show SMILES CCOc1cc(cc(NC(=O)c2nc3CCN(Cc3s2)C(C)C)c1CCC(=O)Nc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C28H31ClN4O5S/c1-4-38-23-14-17(28(36)37)13-22(20(23)9-10-25(34)30-19-7-5-18(29)6-8-19)31-26(35)27-32-21-11-12-33(16(2)3)15-24(21)39-27/h5-8,13-14,16H,4,9-12,15H2,1-3H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 0.740n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358998
PNG
(CHEMBL1923891)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)Nc1cc(cc(F)c1CCC(=O)Nc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H26ClFN4O4S/c1-14(2)32-10-9-20-22(13-32)37-25(31-20)24(34)30-21-12-15(26(35)36)11-19(28)18(21)7-8-23(33)29-17-5-3-16(27)4-6-17/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,29,33)(H,30,34)(H,35,36)
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n/an/a 0.800n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358982
PNG
(CHEMBL1923876)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CNC(=O)c1ccc(Cl)s1)C(O)=O
Show InChI InChI=1S/C23H23ClN4O4S2/c1-12(2)28-8-7-15-18(11-28)34-22(27-15)21(30)26-16-9-13(23(31)32)3-4-14(16)10-25-20(29)17-5-6-19(24)33-17/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,25,29)(H,26,30)(H,31,32)
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n/an/a 0.930n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358997
PNG
(CHEMBL1921822)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CCC(=O)Nc1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C26H27BrN4O4S/c1-15(2)31-12-11-20-22(14-31)36-25(30-20)24(33)29-21-13-17(26(34)35)4-3-16(21)5-10-23(32)28-19-8-6-18(27)7-9-19/h3-4,6-9,13,15H,5,10-12,14H2,1-2H3,(H,28,32)(H,29,33)(H,34,35)
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n/an/a 1.20n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358994
PNG
(CHEMBL1923888)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CCC(=O)Nc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H27ClN4O4S/c1-15(2)31-12-11-20-22(14-31)36-25(30-20)24(33)29-21-13-17(26(34)35)4-3-16(21)5-10-23(32)28-19-8-6-18(27)7-9-19/h3-4,6-9,13,15H,5,10-12,14H2,1-2H3,(H,28,32)(H,29,33)(H,34,35)
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n/an/a 1.30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50358993
PNG
(CHEMBL1923887)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)Nc1c(CCC(=O)Nc2ccc(Cl)cc2)cccc1C(O)=O
Show InChI InChI=1S/C26H27ClN4O4S/c1-15(2)31-13-12-20-21(14-31)36-25(29-20)24(33)30-23-16(4-3-5-19(23)26(34)35)6-11-22(32)28-18-9-7-17(27)8-10-18/h3-5,7-10,15H,6,11-14H2,1-2H3,(H,28,32)(H,30,33)(H,34,35)
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n/an/a 1.5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50359003
PNG
(CHEMBL1923896)
Show SMILES CC(C)Oc1cc(cc(NC(=O)c2nc3CCN(Cc3s2)C(C)C)c1CCC(=O)Nc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C29H33ClN4O5S/c1-16(2)34-12-11-22-25(15-34)40-28(33-22)27(36)32-23-13-18(29(37)38)14-24(39-17(3)4)21(23)9-10-26(35)31-20-7-5-19(30)6-8-20/h5-8,13-14,16-17H,9-12,15H2,1-4H3,(H,31,35)(H,32,36)(H,37,38)
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n/an/a 1.60n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50338329
PNG
(CHEMBL1681798 | N-(2-{3-[(5-Chlorothiophen-2-yl)ca...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1ccccc1CNC(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C20H19ClN4O2S2/c1-25-9-8-14-16(11-25)29-20(24-14)19(27)23-13-5-3-2-4-12(13)10-22-18(26)15-6-7-17(21)28-15/h2-7H,8-11H2,1H3,(H,22,26)(H,23,27)
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n/an/a 1.70n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50358970
PNG
(CHEMBL1923795)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CNC(=O)c1ccc(Cl)s1)C(O)=O
Show InChI InChI=1S/C21H19ClN4O4S2/c1-26-7-6-13-16(10-26)32-20(25-13)19(28)24-14-8-11(21(29)30)2-3-12(14)9-23-18(27)15-4-5-17(22)31-15/h2-5,8H,6-7,9-10H2,1H3,(H,23,27)(H,24,28)(H,29,30)
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n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358991
PNG
(CHEMBL1923885)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CCC(=O)Nc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C24H23ClN4O4S/c1-29-11-10-18-20(13-29)34-23(28-18)22(31)27-19-12-15(24(32)33)3-2-14(19)4-9-21(30)26-17-7-5-16(25)6-8-17/h2-3,5-8,12H,4,9-11,13H2,1H3,(H,26,30)(H,27,31)(H,32,33)
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n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358976
PNG
(CHEMBL1923801)
Show SMILES CN(C)C(=O)c1cccc(CNC(=O)c2ccc(Cl)s2)c1NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C23H24ClN5O3S2/c1-28(2)23(32)14-6-4-5-13(11-25-20(30)16-7-8-18(24)33-16)19(14)27-21(31)22-26-15-9-10-29(3)12-17(15)34-22/h4-8H,9-12H2,1-3H3,(H,25,30)(H,27,31)
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n/an/a 2.10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358995
PNG
(CHEMBL1923889)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CCC(=O)Nc1ccc(Cl)cn1)C(O)=O
Show InChI InChI=1S/C25H26ClN5O4S/c1-14(2)31-10-9-18-20(13-31)36-24(29-18)23(33)28-19-11-16(25(34)35)4-3-15(19)5-8-22(32)30-21-7-6-17(26)12-27-21/h3-4,6-7,11-12,14H,5,8-10,13H2,1-2H3,(H,28,33)(H,34,35)(H,27,30,32)
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n/an/a 2.30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358992
PNG
(CHEMBL1923886)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CCC(=O)Nc1ccc(Cl)cn1)C(O)=O
Show InChI InChI=1S/C23H22ClN5O4S/c1-29-9-8-16-18(12-29)34-22(27-16)21(31)26-17-10-14(23(32)33)3-2-13(17)4-7-20(30)28-19-6-5-15(24)11-25-19/h2-3,5-6,10-11H,4,7-9,12H2,1H3,(H,26,31)(H,32,33)(H,25,28,30)
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n/an/a 2.40n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358981
PNG
(CHEMBL1923875)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)Nc1c(CNC(=O)c2ccc(Cl)s2)cccc1C(O)=O
Show InChI InChI=1S/C23H23ClN4O4S2/c1-12(2)28-9-8-15-17(11-28)34-22(26-15)21(30)27-19-13(4-3-5-14(19)23(31)32)10-25-20(29)16-6-7-18(24)33-16/h3-7,12H,8-11H2,1-2H3,(H,25,29)(H,27,30)(H,31,32)
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n/an/a 2.90n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358987
PNG
(CHEMBL1923881)
Show SMILES CC(CF)N1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CNC(=O)c1ccc(Cl)s1)C(O)=O
Show InChI InChI=1S/C23H22ClFN4O4S2/c1-12(9-25)29-7-6-15-18(11-29)35-22(28-15)21(31)27-16-8-13(23(32)33)2-3-14(16)10-26-20(30)17-4-5-19(24)34-17/h2-5,8,12H,6-7,9-11H2,1H3,(H,26,30)(H,27,31)(H,32,33)
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n/an/a 2.90n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358972
PNG
(CHEMBL1923797)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1c(CNC(=O)c2ccc(Cl)s2)cccc1C(N)=O
Show InChI InChI=1S/C21H20ClN5O3S2/c1-27-8-7-13-15(10-27)32-21(25-13)20(30)26-17-11(3-2-4-12(17)18(23)28)9-24-19(29)14-5-6-16(22)31-14/h2-6H,7-10H2,1H3,(H2,23,28)(H,24,29)(H,26,30)
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n/an/a 3.5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358980
PNG
(CHEMBL1923874)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CNC(=O)c1ccc(Cl)s1)-c1nnn[nH]1
Show InChI InChI=1S/C21H19ClN8O2S2/c1-30-7-6-13-16(10-30)34-21(25-13)20(32)24-14-8-11(18-26-28-29-27-18)2-3-12(14)9-23-19(31)15-4-5-17(22)33-15/h2-5,8H,6-7,9-10H2,1H3,(H,23,31)(H,24,32)(H,26,27,28,29)
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n/an/a 4.70n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358973
PNG
(CHEMBL1923798)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CNC(=O)c1ccc(Cl)s1)C(N)=O
Show InChI InChI=1S/C21H20ClN5O3S2/c1-27-7-6-13-16(10-27)32-21(26-13)20(30)25-14-8-11(18(23)28)2-3-12(14)9-24-19(29)15-4-5-17(22)31-15/h2-5,8H,6-7,9-10H2,1H3,(H2,23,28)(H,24,29)(H,25,30)
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n/an/a 4.80n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358986
PNG
(CHEMBL1923880)
Show SMILES COCC(C)N1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CNC(=O)c1ccc(Cl)s1)C(O)=O
Show InChI InChI=1S/C24H25ClN4O5S2/c1-13(12-34-2)29-8-7-16-19(11-29)36-23(28-16)22(31)27-17-9-14(24(32)33)3-4-15(17)10-26-21(30)18-5-6-20(25)35-18/h3-6,9,13H,7-8,10-12H2,1-2H3,(H,26,30)(H,27,31)(H,32,33)
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n/an/a 4.90n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358985
PNG
(CHEMBL1923879)
Show SMILES CCN1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CNC(=O)c1ccc(Cl)s1)C(O)=O
Show InChI InChI=1S/C22H21ClN4O4S2/c1-2-27-8-7-14-17(11-27)33-21(26-14)20(29)25-15-9-12(22(30)31)3-4-13(15)10-24-19(28)16-5-6-18(23)32-16/h3-6,9H,2,7-8,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)
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n/an/a 4.90n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358978
PNG
(CHEMBL1923872)
Show SMILES COC(=O)c1ccc(CNC(=O)c2ccc(Cl)s2)c(NC(=O)c2nc3CCN(C)Cc3s2)c1
Show InChI InChI=1S/C22H21ClN4O4S2/c1-27-8-7-14-17(11-27)33-21(26-14)20(29)25-15-9-12(22(30)31-2)3-4-13(15)10-24-19(28)16-5-6-18(23)32-16/h3-6,9H,7-8,10-11H2,1-2H3,(H,24,28)(H,25,29)
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n/an/a 5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358974
PNG
(CHEMBL1923799)
Show SMILES CNC(=O)c1cccc(CNC(=O)c2ccc(Cl)s2)c1NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C22H22ClN5O3S2/c1-24-19(29)13-5-3-4-12(10-25-20(30)15-6-7-17(23)32-15)18(13)27-21(31)22-26-14-8-9-28(2)11-16(14)33-22/h3-7H,8-11H2,1-2H3,(H,24,29)(H,25,30)(H,27,31)
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n/an/a 5.60n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358979
PNG
(CHEMBL1923873)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CNC(=O)c1ccc(Cl)s1)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C22H22ClN5O5S3/c1-28-8-7-14-17(11-28)35-22(26-14)21(31)25-15-9-12(19(29)27-36(2,32)33)3-4-13(15)10-24-20(30)16-5-6-18(23)34-16/h3-6,9H,7-8,10-11H2,1-2H3,(H,24,30)(H,25,31)(H,27,29)
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n/an/a 6n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358969
PNG
(CHEMBL1923794)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1c(CNC(=O)c2ccc(Cl)s2)cccc1C(O)=O
Show InChI InChI=1S/C21H19ClN4O4S2/c1-26-8-7-13-15(10-26)32-20(24-13)19(28)25-17-11(3-2-4-12(17)21(29)30)9-23-18(27)14-5-6-16(22)31-14/h2-6H,7-10H2,1H3,(H,23,27)(H,25,28)(H,29,30)
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n/an/a 6.10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358977
PNG
(CHEMBL1923871)
Show SMILES CN(C)C(=O)c1ccc(CNC(=O)c2ccc(Cl)s2)c(NC(=O)c2nc3CCN(C)Cc3s2)c1
Show InChI InChI=1S/C23H24ClN5O3S2/c1-28(2)23(32)13-4-5-14(11-25-20(30)17-6-7-19(24)33-17)16(10-13)26-21(31)22-27-15-8-9-29(3)12-18(15)34-22/h4-7,10H,8-9,11-12H2,1-3H3,(H,25,30)(H,26,31)
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n/an/a 6.30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358988
PNG
(CHEMBL1923882)
Show SMILES OC(=O)c1ccc(CNC(=O)c2ccc(Cl)s2)c(NC(=O)c2nc3CCN(Cc3s2)C(CF)CF)c1
Show InChI InChI=1S/C23H21ClF2N4O4S2/c24-19-4-3-17(35-19)20(31)27-10-13-2-1-12(23(33)34)7-16(13)28-21(32)22-29-15-5-6-30(11-18(15)36-22)14(8-25)9-26/h1-4,7,14H,5-6,8-11H2,(H,27,31)(H,28,32)(H,33,34)
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n/an/a 6.90n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358975
PNG
(CHEMBL1923800)
Show SMILES CNC(=O)c1ccc(CNC(=O)c2ccc(Cl)s2)c(NC(=O)c2nc3CCN(C)Cc3s2)c1
Show InChI InChI=1S/C22H22ClN5O3S2/c1-24-19(29)12-3-4-13(10-25-20(30)16-5-6-18(23)32-16)15(9-12)26-21(31)22-27-14-7-8-28(2)11-17(14)33-22/h3-6,9H,7-8,10-11H2,1-2H3,(H,24,29)(H,25,30)(H,26,31)
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n/an/a 8.30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358990
PNG
(CHEMBL1923884)
Show SMILES CS(=O)(=O)N1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CNC(=O)c1ccc(Cl)s1)C(O)=O
Show InChI InChI=1S/C21H19ClN4O6S3/c1-35(31,32)26-7-6-13-16(10-26)34-20(25-13)19(28)24-14-8-11(21(29)30)2-3-12(14)9-23-18(27)15-4-5-17(22)33-15/h2-5,8H,6-7,9-10H2,1H3,(H,23,27)(H,24,28)(H,29,30)
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n/an/a 9.10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358996
PNG
(CHEMBL1923890)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CCC(=O)Nc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C26H27FN4O4S/c1-15(2)31-12-11-20-22(14-31)36-25(30-20)24(33)29-21-13-17(26(34)35)4-3-16(21)5-10-23(32)28-19-8-6-18(27)7-9-19/h3-4,6-9,13,15H,5,10-12,14H2,1-2H3,(H,28,32)(H,29,33)(H,34,35)
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n/an/a 10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358971
PNG
(CHEMBL1923796)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1ccc(cc1CNC(=O)c1ccc(Cl)s1)C(O)=O
Show InChI InChI=1S/C21H19ClN4O4S2/c1-26-7-6-14-16(10-26)32-20(25-14)19(28)24-13-3-2-11(21(29)30)8-12(13)9-23-18(27)15-4-5-17(22)31-15/h2-5,8H,6-7,9-10H2,1H3,(H,23,27)(H,24,28)(H,29,30)
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n/an/a 20n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358989
PNG
(CHEMBL1923883)
Show SMILES CC(=O)N1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CNC(=O)c1ccc(Cl)s1)C(O)=O
Show InChI InChI=1S/C22H19ClN4O5S2/c1-11(28)27-7-6-14-17(10-27)34-21(26-14)20(30)25-15-8-12(22(31)32)2-3-13(15)9-24-19(29)16-4-5-18(23)33-16/h2-5,8H,6-7,9-10H2,1H3,(H,24,29)(H,25,30)(H,31,32)
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n/an/a 49n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358984
PNG
(CHEMBL1923878)
Show SMILES OC(=O)c1ccc(CNC(=O)c2ccc(Cl)s2)c(NC(=O)c2nc3CCOCc3s2)c1
Show InChI InChI=1S/C20H16ClN3O5S2/c21-16-4-3-14(30-16)17(25)22-8-11-2-1-10(20(27)28)7-13(11)23-18(26)19-24-12-5-6-29-9-15(12)31-19/h1-4,7H,5-6,8-9H2,(H,22,25)(H,23,26)(H,27,28)
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n/an/a 53n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358983
PNG
(CHEMBL1923877)
Show SMILES OC(=O)c1cccc(CNC(=O)c2ccc(Cl)s2)c1NC(=O)c1nc2CCOCc2s1
Show InChI InChI=1S/C20H16ClN3O5S2/c21-15-5-4-13(30-15)17(25)22-8-10-2-1-3-11(20(27)28)16(10)24-18(26)19-23-12-6-7-29-9-14(12)31-19/h1-5H,6-9H2,(H,22,25)(H,24,26)(H,27,28)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair