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Articleid 6109

Compile data set for download or QSAR
Found 45 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
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM12569
PNG
(GTC000006A | N-(6-chloronaphthalen-2-yl)-N'-[(3S)-...)
Show SMILES CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H30ClN3O6S/c1-3-21(30)16-29(36(33,34)22-7-5-18-14-20(26)6-4-19(18)15-22)23-8-9-28(25(23)32)17(2)24(31)27-10-12-35-13-11-27/h4-7,14-15,17,23H,3,8-13,16H2,1-2H3/t17-,23-/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226034
PNG
(GTC000022A)
Show SMILES C[C@H](N1CC[C@H](N(CC(=O)OC(C)(C)C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H34ClN3O7S/c1-18(25(33)29-11-13-37-14-12-29)30-10-9-23(26(30)34)31(17-24(32)38-27(2,3)4)39(35,36)22-8-6-19-15-21(28)7-5-20(19)16-22/h5-8,15-16,18,23H,9-14,17H2,1-4H3/t18-,23-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226040
PNG
(GTC000028A)
Show SMILES C[C@H](N1CC[C@H](N(Cc2ccccn2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H29ClN4O5S/c1-19(26(33)30-12-14-37-15-13-30)31-11-9-25(27(31)34)32(18-23-4-2-3-10-29-23)38(35,36)24-8-6-20-16-22(28)7-5-21(20)17-24/h2-8,10,16-17,19,25H,9,11-15,18H2,1H3/t19-,25-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226052
PNG
(GTC000040A)
Show SMILES C[C@H](N1CC[C@H](N(CCN2CCOCC2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H35ClN4O6S/c1-20(26(33)30-12-16-38-17-13-30)31-7-6-25(27(31)34)32(9-8-29-10-14-37-15-11-29)39(35,36)24-5-3-21-18-23(28)4-2-22(21)19-24/h2-5,18-20,25H,6-17H2,1H3/t20-,25-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226017
PNG
(GTC000001A)
Show SMILES COC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C24H28ClN3O7S/c1-16(23(30)26-9-11-35-12-10-26)27-8-7-21(24(27)31)28(15-22(29)34-2)36(32,33)20-6-4-17-13-19(25)5-3-18(17)14-20/h3-6,13-14,16,21H,7-12,15H2,1-2H3/t16-,21-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226042
PNG
(GTC000029A)
Show SMILES C[C@H](N1CC[C@H](N(Cc2ccncc2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H29ClN4O5S/c1-19(26(33)30-12-14-37-15-13-30)31-11-8-25(27(31)34)32(18-20-6-9-29-10-7-20)38(35,36)24-5-3-21-16-23(28)4-2-22(21)17-24/h2-7,9-10,16-17,19,25H,8,11-15,18H2,1H3/t19-,25-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226055
PNG
(GTC000043A)
Show SMILES C[C@H](N1CC[C@H](N(CCN2CCCC2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H35ClN4O5S/c1-20(26(33)30-14-16-37-17-15-30)31-11-8-25(27(31)34)32(13-12-29-9-2-3-10-29)38(35,36)24-7-5-21-18-23(28)6-4-22(21)19-24/h4-7,18-20,25H,2-3,8-17H2,1H3/t20-,25-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226040
PNG
(GTC000028A)
Show SMILES C[C@H](N1CC[C@H](N(Cc2ccccn2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H29ClN4O5S/c1-19(26(33)30-12-14-37-15-13-30)31-11-9-25(27(31)34)32(18-23-4-2-3-10-29-23)38(35,36)24-8-6-20-16-22(28)7-5-21(20)17-24/h2-8,10,16-17,19,25H,9,11-15,18H2,1H3/t19-,25-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226045
PNG
(GTC000032A)
Show SMILES C[C@H](N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc(s2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H25ClN4O6S3/c1-13(20(28)24-8-10-32-11-9-24)25-7-6-14(21(25)29)26(12-18(23)27)35(30,31)19-5-3-16(34-19)15-2-4-17(22)33-15/h2-5,13-14H,6-12H2,1H3,(H2,23,27)/t13-,14-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM12567
PNG
(2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...)
Show SMILES C[C@H](N1CC[C@H](N(CC(O)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H26ClN3O7S/c1-15(22(30)25-8-10-34-11-9-25)26-7-6-20(23(26)31)27(14-21(28)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H,28,29)/t15-,20-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226021
PNG
(GTC000009A)
Show SMILES COC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc(s1)-c1ccc(Cl)s1
Show InChI InChI=1S/C22H26ClN3O7S3/c1-14(21(28)24-9-11-33-12-10-24)25-8-7-15(22(25)29)26(13-19(27)32-2)36(30,31)20-6-4-17(35-20)16-3-5-18(23)34-16/h3-6,14-15H,7-13H2,1-2H3/t14-,15-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226033
PNG
(GTC000021A)
Show SMILES C[C@H](N1CC[C@H](N(CC(=O)C(C)(C)C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H34ClN3O6S/c1-18(25(33)29-11-13-37-14-12-29)30-10-9-23(26(30)34)31(17-24(32)27(2,3)4)38(35,36)22-8-6-19-15-21(28)7-5-20(19)16-22/h5-8,15-16,18,23H,9-14,17H2,1-4H3/t18-,23-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226022
PNG
(GTC000010A)
Show SMILES CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc(s1)-c1ccc(Cl)s1
Show InChI InChI=1S/C23H28ClN3O6S3/c1-3-16(28)14-27(36(31,32)21-7-5-19(35-21)18-4-6-20(24)34-18)17-8-9-26(23(17)30)15(2)22(29)25-10-12-33-13-11-25/h4-7,15,17H,3,8-14H2,1-2H3/t15-,17-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226036
PNG
(GTC000024A)
Show SMILES C[C@H](N1CC[C@H](N(Cc2csc(C)n2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H29ClN4O5S2/c1-17(25(32)29-9-11-36-12-10-29)30-8-7-24(26(30)33)31(15-22-16-37-18(2)28-22)38(34,35)23-6-4-19-13-21(27)5-3-20(19)14-23/h3-6,13-14,16-17,24H,7-12,15H2,1-2H3/t17-,24-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM12568
PNG
(2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...)
Show SMILES C[C@H](N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H27ClN4O6S/c1-15(22(30)26-8-10-34-11-9-26)27-7-6-20(23(27)31)28(14-21(25)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H2,25,29)/t15-,20-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226018
PNG
(GTC000003A)
Show SMILES C[C@H](N1CC[C@H](N(CC#N)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H25ClN4O5S/c1-16(22(29)26-10-12-33-13-11-26)27-8-6-21(23(27)30)28(9-7-25)34(31,32)20-5-3-17-14-19(24)4-2-18(17)15-20/h2-5,14-16,21H,6,8-13H2,1H3/t16-,21-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226028
PNG
(GTC000016A)
Show SMILES C[C@H](N1CC[C@H](N(CC(O)=O)S(=O)(=O)c2ccc(s2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H24ClN3O7S3/c1-13(20(28)23-8-10-32-11-9-23)24-7-6-14(21(24)29)25(12-18(26)27)35(30,31)19-5-3-16(34-19)15-2-4-17(22)33-15/h2-5,13-14H,6-12H2,1H3,(H,26,27)/t13-,14-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226054
PNG
(GTC000042A)
Show SMILES C[C@H](N1CC[C@H](N(CCN(C)C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H33ClN4O5S/c1-18(24(31)28-12-14-35-15-13-28)29-9-8-23(25(29)32)30(11-10-27(2)3)36(33,34)22-7-5-19-16-21(26)6-4-20(19)17-22/h4-7,16-18,23H,8-15H2,1-3H3/t18-,23-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226027
PNG
(GTC000015A)
Show SMILES C[C@H](N1CC[C@H](N(Cc2cccnc2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H29ClN4O5S/c1-19(26(33)30-11-13-37-14-12-30)31-10-8-25(27(31)34)32(18-20-3-2-9-29-17-20)38(35,36)24-7-5-21-15-23(28)6-4-22(21)16-24/h2-7,9,15-17,19,25H,8,10-14,18H2,1H3/t19-,25-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226050
PNG
(GTC000038A)
Show SMILES C[C@H](N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1C[C@H](C)O[C@H](C)C1
Show InChI InChI=1S/C25H31ClN4O6S/c1-15-12-28(13-16(2)36-15)24(32)17(3)29-9-8-22(25(29)33)30(14-23(27)31)37(34,35)21-7-5-18-10-20(26)6-4-19(18)11-21/h4-7,10-11,15-17,22H,8-9,12-14H2,1-3H3,(H2,27,31)/t15-,16+,17-,22-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226037
PNG
(GTC000025A)
Show SMILES CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C23H28ClN3O6S2/c1-3-18(28)14-27(35(31,32)21-12-16-4-5-17(24)13-20(16)34-21)19-6-7-26(23(19)30)15(2)22(29)25-8-10-33-11-9-25/h4-5,12-13,15,19H,3,6-11,14H2,1-2H3/t15-,19-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226020
PNG
(GTC000008A)
Show SMILES C[C@H](N1CC[C@H](N(CC#N)S(=O)(=O)c2ccc(s2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H23ClN4O5S3/c1-14(20(27)24-10-12-31-13-11-24)25-8-6-15(21(25)28)26(9-7-23)34(29,30)19-5-3-17(33-19)16-2-4-18(22)32-16/h2-5,14-15H,6,8-13H2,1H3/t14-,15-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226032
PNG
(GTC000020A)
Show SMILES C[C@H](N1CC[C@H](N(Cc2nccs2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H27ClN4O5S2/c1-17(24(31)28-9-11-35-12-10-28)29-8-6-22(25(29)32)30(16-23-27-7-13-36-23)37(33,34)21-5-3-18-14-20(26)4-2-19(18)15-21/h2-5,7,13-15,17,22H,6,8-12,16H2,1H3/t17-,22-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226026
PNG
(GTC000014A)
Show SMILES C[C@H](N1CC[C@H](N(Cc2ccoc2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H28ClN3O6S/c1-18(25(31)28-9-12-35-13-10-28)29-8-6-24(26(29)32)30(16-19-7-11-36-17-19)37(33,34)23-5-3-20-14-22(27)4-2-21(20)15-23/h2-5,7,11,14-15,17-18,24H,6,8-10,12-13,16H2,1H3/t18-,24-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226038
PNG
(GTC000026A)
Show SMILES C[C@H](N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H25ClN4O6S2/c1-13(20(28)24-6-8-32-9-7-24)25-5-4-16(21(25)29)26(12-18(23)27)34(30,31)19-10-14-2-3-15(22)11-17(14)33-19/h2-3,10-11,13,16H,4-9,12H2,1H3,(H2,23,27)/t13-,16-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226035
PNG
(GTC000023A)
Show SMILES CCN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H28ClN3O5S/c1-3-27(33(30,31)20-7-5-17-14-19(24)6-4-18(17)15-20)21-8-9-26(23(21)29)16(2)22(28)25-10-12-32-13-11-25/h4-7,14-16,21H,3,8-13H2,1-2H3/t16-,21-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226043
PNG
(GTC000030A)
Show SMILES C[C@H](N1CC[C@H](N(CC(N)=O)S(=O)(=O)\C=C\c2ccc(Cl)cc2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H27ClN4O6S/c1-15(20(28)24-9-11-32-12-10-24)25-8-6-18(21(25)29)26(14-19(23)27)33(30,31)13-7-16-2-4-17(22)5-3-16/h2-5,7,13,15,18H,6,8-12,14H2,1H3,(H2,23,27)/b13-7+/t15-,18-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226053
PNG
(GTC000041A)
Show SMILES C[C@H](N1CC[C@H](N(CCNC(C)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H31ClN4O6S/c1-17(24(32)28-11-13-36-14-12-28)29-9-7-23(25(29)33)30(10-8-27-18(2)31)37(34,35)22-6-4-19-15-21(26)5-3-20(19)16-22/h3-6,15-17,23H,7-14H2,1-2H3,(H,27,31)/t17-,23-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226024
PNG
(GTC000012A)
Show SMILES CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C23H30ClN3O6S/c1-3-20(28)16-27(34(31,32)15-9-18-4-6-19(24)7-5-18)21-8-10-26(23(21)30)17(2)22(29)25-11-13-33-14-12-25/h4-7,9,15,17,21H,3,8,10-14,16H2,1-2H3/b15-9+/t17-,21-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226025
PNG
(GTC000013A)
Show SMILES COC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C22H28ClN3O7S/c1-16(21(28)24-10-12-33-13-11-24)25-9-7-19(22(25)29)26(15-20(27)32-2)34(30,31)14-8-17-3-5-18(23)6-4-17/h3-6,8,14,16,19H,7,9-13,15H2,1-2H3/b14-8+/t16-,19-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226019
PNG
(GTC000004A)
Show SMILES C[C@H](N1CC[C@H](N(CC=C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H28ClN3O5S/c1-3-9-28(34(31,32)21-7-5-18-15-20(25)6-4-19(18)16-21)22-8-10-27(24(22)30)17(2)23(29)26-11-13-33-14-12-26/h3-7,15-17,22H,1,8-14H2,2H3/t17-,22-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226031
PNG
(GTC000019A)
Show SMILES C[C@H](N1CC[C@H](N(Cc2ccco2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H28ClN3O6S/c1-18(25(31)28-10-13-35-14-11-28)29-9-8-24(26(29)32)30(17-22-3-2-12-36-22)37(33,34)23-7-5-19-15-21(27)6-4-20(19)16-23/h2-7,12,15-16,18,24H,8-11,13-14,17H2,1H3/t18-,24-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM12566
PNG
(6-chloro-N-methyl-N-[(3S)-1-[(2S)-1-(morpholin-4-y...)
Show SMILES C[C@H](N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C22H26ClN3O5S/c1-15(21(27)25-9-11-31-12-10-25)26-8-7-20(22(26)28)24(2)32(29,30)19-6-4-16-13-18(23)5-3-17(16)14-19/h3-6,13-15,20H,7-12H2,1-2H3/t15-,20-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226049
PNG
(GTC000037A)
Show SMILES C[C@H](N1CC[C@H](N(c2cccnc2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H27ClN4O5S/c1-18(25(32)29-11-13-36-14-12-29)30-10-8-24(26(30)33)31(22-3-2-9-28-17-22)37(34,35)23-7-5-19-15-21(27)6-4-20(19)16-23/h2-7,9,15-18,24H,8,10-14H2,1H3/t18-,24-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226023
PNG
(GTC000011A)
Show SMILES C[C@H](N1CC[C@H](N(CC#N)S(=O)(=O)\C=C\c2ccc(Cl)cc2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H25ClN4O5S/c1-16(20(27)24-11-13-31-14-12-24)25-9-6-19(21(25)28)26(10-8-23)32(29,30)15-7-17-2-4-18(22)5-3-17/h2-5,7,15-16,19H,6,9-14H2,1H3/b15-7+/t16-,19-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226051
PNG
(GTC000039A)
Show SMILES C[C@H](N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1C[C@@H]2C[C@H]1CO2
Show InChI InChI=1S/C24H27ClN4O6S/c1-14(23(31)28-11-19-10-18(28)13-35-19)27-7-6-21(24(27)32)29(12-22(26)30)36(33,34)20-5-3-15-8-17(25)4-2-16(15)9-20/h2-5,8-9,14,18-19,21H,6-7,10-13H2,1H3,(H2,26,30)/t14-,18-,19-,21-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226029
PNG
(GTC000017A)
Show SMILES C[C@H](N1CC[C@H](N(CC(O)=O)S(=O)(=O)\C=C\c2ccc(Cl)cc2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H26ClN3O7S/c1-15(20(28)23-9-11-32-12-10-23)24-8-6-18(21(24)29)25(14-19(26)27)33(30,31)13-7-16-2-4-17(22)5-3-16/h2-5,7,13,15,18H,6,8-12,14H2,1H3,(H,26,27)/b13-7+/t15-,18-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226048
PNG
(GTC000036A)
Show SMILES C[C@H](N1CC[C@H](N(c2ccsc2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H26ClN3O5S2/c1-17(24(30)27-9-11-34-12-10-27)28-8-6-23(25(28)31)29(21-7-13-35-16-21)36(32,33)22-5-3-18-14-20(26)4-2-19(18)15-22/h2-5,7,13-17,23H,6,8-12H2,1H3/t17-,23-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226047
PNG
(GTC000034A)
Show SMILES C[C@H](N1CC[C@H](N(c2ccc(F)cc2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H27ClFN3O5S/c1-18(26(33)30-12-14-37-15-13-30)31-11-10-25(27(31)34)32(23-7-5-22(29)6-8-23)38(35,36)24-9-3-19-16-21(28)4-2-20(19)17-24/h2-9,16-18,25H,10-15H2,1H3/t18-,25-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226044
PNG
(GTC000031A)
Show SMILES C[C@H](N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2cc3cc(Cl)ccc3s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H25ClN4O6S2/c1-13(20(28)24-6-8-32-9-7-24)25-5-4-16(21(25)29)26(12-18(23)27)34(30,31)19-11-14-10-15(22)2-3-17(14)33-19/h2-3,10-11,13,16H,4-9,12H2,1H3,(H2,23,27)/t13-,16-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226046
PNG
(GTC000033A)
Show SMILES C[C@H](N1CC[C@H](N(c2ccccc2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H28ClN3O5S/c1-19(26(32)29-13-15-36-16-14-29)30-12-11-25(27(30)33)31(23-5-3-2-4-6-23)37(34,35)24-10-8-20-17-22(28)9-7-21(20)18-24/h2-10,17-19,25H,11-16H2,1H3/t19-,25-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226039
PNG
(GTC000027A)
Show SMILES CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1cc2cc(Cl)ccc2s1
Show InChI InChI=1S/C23H28ClN3O6S2/c1-3-18(28)14-27(35(31,32)21-13-16-12-17(24)4-5-20(16)34-21)19-6-7-26(23(19)30)15(2)22(29)25-8-10-33-11-9-25/h4-5,12-13,15,19H,3,6-11,14H2,1-2H3/t15-,19-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226030
PNG
(GTC000018A)
Show SMILES CCOC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H30ClN3O7S/c1-3-36-23(30)16-29(37(33,34)21-7-5-18-14-20(26)6-4-19(18)15-21)22-8-9-28(25(22)32)17(2)24(31)27-10-12-35-13-11-27/h4-7,14-15,17,22H,3,8-13,16H2,1-2H3/t17-,22-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226056
PNG
(GTC000044A)
Show SMILES C[C@H](N1CC[C@H](N(C)S(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H24ClN3O5S2/c1-13(17(23)21-8-10-27-11-9-21)22-7-5-15(18(22)24)20(2)29(25,26)12-6-14-3-4-16(19)28-14/h3-4,6,12-13,15H,5,7-11H2,1-2H3/b12-6+/t13-,15-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226057
PNG
(GTC000098A)
Show SMILES Fc1cc(ccc1N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)N1CCCC1
Show InChI InChI=1S/C21H21ClFN3O4S2/c22-19-6-4-15(31-19)8-12-32(29,30)24-17-7-11-26(21(17)28)18-5-3-14(13-16(18)23)20(27)25-9-1-2-10-25/h3-6,8,12-13,17,24H,1-2,7,9-11H2/b12-8+/t17-/m0/s1
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D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%