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Articleid 6110

Compile data set for download or QSAR
Found 69 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))
BDBM226109
PNG
(GTC000096A)
Show SMILES CN(C)C(=O)c1ccc(N2CC[C@H](N(Cc3ccccn3)S(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C26H26ClFN4O4S2/c1-17(23-9-10-24(27)37-23)16-38(35,36)32(15-19-6-4-5-12-29-19)22-11-13-31(26(22)34)21-8-7-18(14-20(21)28)25(33)30(2)3/h4-10,12,14,16,22H,11,13,15H2,1-3H3/b17-16+/t22-/m0/s1
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n/an/a 0.641n/an/an/an/an/an/a



D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226103
PNG
(GTC000090A)
Show SMILES COCCN([C@H]1CCN(C1=O)c1ccc(cc1F)C(=O)N(C)C)S(=O)(=O)\C=C(/C)c1ccc(Cl)s1
Show InChI InChI=1S/C23H27ClFN3O5S2/c1-15(20-7-8-21(24)34-20)14-35(31,32)28(11-12-33-4)19-9-10-27(23(19)30)18-6-5-16(13-17(18)25)22(29)26(2)3/h5-8,13-14,19H,9-12H2,1-4H3/b15-14+/t19-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
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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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226104
PNG
(GTC000091A)
Show SMILES CN(C)C(=O)c1ccc(N2CC[C@H](N(CCOC(C)(C)C)S(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C26H33ClFN3O5S2/c1-17(22-9-10-23(27)37-22)16-38(34,35)31(13-14-36-26(2,3)4)21-11-12-30(25(21)33)20-8-7-18(15-19(20)28)24(32)29(5)6/h7-10,15-16,21H,11-14H2,1-6H3/b17-16+/t21-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226114
PNG
(GTC000105A)
Show SMILES CN(C)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C20H21ClFN3O4S2/c1-12(17-6-7-18(21)30-17)11-31(28,29)23-15-8-9-25(20(15)27)16-5-4-13(10-14(16)22)19(26)24(2)3/h4-7,10-11,15,23H,8-9H2,1-3H3/b12-11+/t15-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226099
PNG
(GTC000086A)
Show SMILES CN(C)C(=O)c1ccc(N2CC[C@H](N(CC3CC3)S(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C24H27ClFN3O4S2/c1-15(21-8-9-22(25)34-21)14-35(32,33)29(13-16-4-5-16)20-10-11-28(24(20)31)19-7-6-17(12-18(19)26)23(30)27(2)3/h6-9,12,14,16,20H,4-5,10-11,13H2,1-3H3/b15-14+/t20-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226091
PNG
(GTC000078A)
Show SMILES CN(C)C(=O)c1ccc(N2CC[C@H](N(C)S(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C21H23ClFN3O4S2/c1-13(18-7-8-19(22)31-18)12-32(29,30)25(4)17-9-10-26(21(17)28)16-6-5-14(11-15(16)23)20(27)24(2)3/h5-8,11-12,17H,9-10H2,1-4H3/b13-12+/t17-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226105
PNG
(GTC000092A)
Show SMILES CN(C)C(=O)c1ccc(N2CC[C@H](N(Cc3nccnc3N)S(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C25H26ClFN6O4S2/c1-15(21-6-7-22(26)38-21)14-39(36,37)33(13-18-23(28)30-10-9-29-18)20-8-11-32(25(20)35)19-5-4-16(12-17(19)27)24(34)31(2)3/h4-7,9-10,12,14,20H,8,11,13H2,1-3H3,(H2,28,30)/b15-14+/t20-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226110
PNG
(GTC000097A)
Show SMILES CN(C)C(=O)c1ccc(N2CC[C@H](N(C3CCCC3)S(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C25H29ClFN3O4S2/c1-16(22-10-11-23(26)35-22)15-36(33,34)30(18-6-4-5-7-18)21-12-13-29(25(21)32)20-9-8-17(14-19(20)27)24(31)28(2)3/h8-11,14-15,18,21H,4-7,12-13H2,1-3H3/b16-15+/t21-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226102
PNG
(GTC000089A)
Show SMILES CC(C)N([C@H]1CCN(C1=O)c1ccc(cc1F)C(=O)N(C)C)S(=O)(=O)\C=C(/C)c1ccc(Cl)s1
Show InChI InChI=1S/C23H27ClFN3O4S2/c1-14(2)28(34(31,32)13-15(3)20-8-9-21(24)33-20)19-10-11-27(23(19)30)18-7-6-16(12-17(18)25)22(29)26(4)5/h6-9,12-14,19H,10-11H2,1-5H3/b15-13+/t19-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226101
PNG
(GTC000088A)
Show SMILES CN(C)C(=O)c1ccc(N2CC[C@H](N(Cc3nccn3C)S(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C25H27ClFN5O4S2/c1-16(21-7-8-22(26)37-21)15-38(35,36)32(14-23-28-10-12-30(23)4)20-9-11-31(25(20)34)19-6-5-17(13-18(19)27)24(33)29(2)3/h5-8,10,12-13,15,20H,9,11,14H2,1-4H3/b16-15+/t20-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226100
PNG
(GTC000087A)
Show SMILES CN(C)C(=O)c1ccc(N2CC[C@H](N(Cc3c(C)noc3C)S(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C26H28ClFN4O5S2/c1-15(23-8-9-24(27)38-23)14-39(35,36)32(13-19-16(2)29-37-17(19)3)22-10-11-31(26(22)34)21-7-6-18(12-20(21)28)25(33)30(4)5/h6-9,12,14,22H,10-11,13H2,1-5H3/b15-14+/t22-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226113
PNG
(GTC000104A)
Show SMILES CN(C)C(=O)c1ccc(N2CC[C@H](N(CC(N)=O)S(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C21H22ClFN4O5S2/c1-25(2)20(29)13-3-5-16(15(23)11-13)26-9-7-17(21(26)30)27(12-19(24)28)34(31,32)10-8-14-4-6-18(22)33-14/h3-6,8,10-11,17H,7,9,12H2,1-2H3,(H2,24,28)/b10-8+/t17-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
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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n/an/a 3.89n/an/an/an/an/an/a



D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
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
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226088
PNG
(GTC000075A)
Show SMILES CNCCN(C)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C22H26ClFN4O4S2/c1-14(19-6-7-20(23)33-19)13-34(31,32)26-17-8-10-28(22(17)30)18-5-4-15(12-16(18)24)21(29)27(3)11-9-25-2/h4-7,12-13,17,25-26H,8-11H2,1-3H3/b14-13+/t17-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
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
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226111
PNG
(GTC000100A)
Show SMILES NC(=O)CN([C@H]1CCN(C1=O)c1ccc(cc1F)C(N)=O)S(=O)(=O)\C=C\c1ccc(Cl)s1
Show InChI InChI=1S/C19H18ClFN4O5S2/c20-16-4-2-12(31-16)6-8-32(29,30)25(10-17(22)26)15-5-7-24(19(15)28)14-3-1-11(18(23)27)9-13(14)21/h1-4,6,8-9,15H,5,7,10H2,(H2,22,26)(H2,23,27)/b8-6+/t15-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50306148
PNG
((S)-4-(3-(2-(5-chlorothiophen-2-yl)vinylsulfonamid...)
Show SMILES CN(C)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C19H19ClFN3O4S2/c1-23(2)18(25)12-3-5-16(14(21)11-12)24-9-7-15(19(24)26)22-30(27,28)10-8-13-4-6-17(20)29-13/h3-6,8,10-11,15,22H,7,9H2,1-2H3/b10-8+/t15-/m0/s1
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n/an/a 4.83n/an/an/an/an/an/a



D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226112
PNG
(GTC000103A)
Show SMILES CN(C)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1
Show InChI InChI=1S/C21H19ClFN3O4S2/c1-25(2)20(27)13-4-6-17(15(23)9-13)26-8-7-16(21(26)28)24-32(29,30)19-10-12-3-5-14(22)11-18(12)31-19/h3-6,9-11,16,24H,7-8H2,1-2H3/t16-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226107
PNG
(GTC000094A)
Show SMILES CN(C)C(=O)c1ccc(N2CC[C@H](N(CCOCC(N)=O)S(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C24H28ClFN4O6S2/c1-15(20-6-7-21(25)37-20)14-38(34,35)30(10-11-36-13-22(27)31)19-8-9-29(24(19)33)18-5-4-16(12-17(18)26)23(32)28(2)3/h4-7,12,14,19H,8-11,13H2,1-3H3,(H2,27,31)/b15-14+/t19-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
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
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50306150
PNG
((S)-4-(3-(2-(5-chlorothiophen-2-yl)vinylsulfonamid...)
Show SMILES NC(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C17H15ClFN3O4S2/c18-15-4-2-11(27-15)6-8-28(25,26)21-13-5-7-22(17(13)24)14-3-1-10(16(20)23)9-12(14)19/h1-4,6,8-9,13,21H,5,7H2,(H2,20,23)/b8-6+/t13-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226060
PNG
(GTC000047A)
Show SMILES CCOC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)CCc1ccc(Cl)s1
Show InChI InChI=1S/C21H30ClN3O7S2/c1-3-32-19(26)14-25(34(29,30)13-7-16-4-5-18(22)33-16)17-6-8-24(21(17)28)15(2)20(27)23-9-11-31-12-10-23/h4-5,15,17H,3,6-14H2,1-2H3/t15-,17-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226108
PNG
(GTC000095A)
Show SMILES CN(C)CCCN([C@H]1CCN(C1=O)c1ccc(cc1F)C(=O)N(C)C)S(=O)(=O)\C=C(/C)c1ccc(Cl)s1
Show InChI InChI=1S/C25H32ClFN4O4S2/c1-17(22-9-10-23(26)36-22)16-37(34,35)31(13-6-12-28(2)3)21-11-14-30(25(21)33)20-8-7-18(15-19(20)27)24(32)29(4)5/h7-10,15-16,21H,6,11-14H2,1-5H3/b17-16+/t21-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226059
PNG
(GTC000046A)
Show SMILES COC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)CCc1ccc(Cl)s1
Show InChI InChI=1S/C20H28ClN3O7S2/c1-14(19(26)22-8-10-31-11-9-22)23-7-5-16(20(23)27)24(13-18(25)30-2)33(28,29)12-6-15-3-4-17(21)32-15/h3-4,14,16H,5-13H2,1-2H3/t14-,16-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226066
PNG
(GTC000053A)
Show SMILES CN(C)C(=O)c1ccc(N2CC[C@H](N(C)S(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C20H21ClFN3O4S2/c1-23(2)19(26)13-4-6-16(15(22)12-13)25-10-8-17(20(25)27)24(3)31(28,29)11-9-14-5-7-18(21)30-14/h4-7,9,11-12,17H,8,10H2,1-3H3/b11-9+/t17-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226093
PNG
(GTC000080A)
Show SMILES CNCCN(C)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1
Show InChI InChI=1S/C23H24ClFN4O4S2/c1-26-8-10-28(2)22(30)15-4-6-19(17(25)11-15)29-9-7-18(23(29)31)27-35(32,33)21-12-14-3-5-16(24)13-20(14)34-21/h3-6,11-13,18,26-27H,7-10H2,1-2H3/t18-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
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
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226097
PNG
(GTC000084A)
Show SMILES CN(CCc1cccnc1)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C26H26ClFN4O4S2/c1-17(23-7-8-24(27)37-23)16-38(35,36)30-21-10-13-32(26(21)34)22-6-5-19(14-20(22)28)25(33)31(2)12-9-18-4-3-11-29-15-18/h3-8,11,14-16,21,30H,9-10,12-13H2,1-2H3/b17-16+/t21-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226068
PNG
(GTC000055A)
Show SMILES CN(CCc1cccnc1)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C25H24ClFN4O4S2/c1-30(12-8-17-3-2-11-28-16-17)24(32)18-4-6-22(20(27)15-18)31-13-9-21(25(31)33)29-37(34,35)14-10-19-5-7-23(26)36-19/h2-7,10-11,14-16,21,29H,8-9,12-13H2,1H3/b14-10+/t21-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226096
PNG
(GTC000083A)
Show SMILES CN(C)CCN(C)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C23H28ClFN4O4S2/c1-15(20-7-8-21(24)34-20)14-35(32,33)26-18-9-10-29(23(18)31)19-6-5-16(13-17(19)25)22(30)28(4)12-11-27(2)3/h5-8,13-14,18,26H,9-12H2,1-4H3/b15-14+/t18-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226089
PNG
(GTC000076A)
Show SMILES CN(CCS(C)(=O)=O)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C22H25ClFN3O6S3/c1-14(19-6-7-20(23)34-19)13-36(32,33)25-17-8-9-27(22(17)29)18-5-4-15(12-16(18)24)21(28)26(2)10-11-35(3,30)31/h4-7,12-13,17,25H,8-11H2,1-3H3/b14-13+/t17-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
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
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50306149
PNG
((S)-4-(3-(2-(5-chlorothiophen-2-yl)vinylsulfonamid...)
Show SMILES CNC(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C18H17ClFN3O4S2/c1-21-17(24)11-2-4-15(13(20)10-11)23-8-6-14(18(23)25)22-29(26,27)9-7-12-3-5-16(19)28-12/h2-5,7,9-10,14,22H,6,8H2,1H3,(H,21,24)/b9-7+/t14-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226098
PNG
(GTC000085A)
Show SMILES CN(CCc1c[nH]cn1)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C24H25ClFN5O4S2/c1-15(21-5-6-22(25)36-21)13-37(34,35)29-19-8-10-31(24(19)33)20-4-3-16(11-18(20)26)23(32)30(2)9-7-17-12-27-14-28-17/h3-6,11-14,19,29H,7-10H2,1-2H3,(H,27,28)/b15-13+/t19-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226095
PNG
(GTC000082A)
Show SMILES CN(CCc1cccnc1)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1
Show InChI InChI=1S/C27H24ClFN4O4S2/c1-32(11-8-17-3-2-10-30-16-17)26(34)19-5-7-23(21(29)13-19)33-12-9-22(27(33)35)31-39(36,37)25-14-18-4-6-20(28)15-24(18)38-25/h2-7,10,13-16,22,31H,8-9,11-12H2,1H3/t22-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226058
PNG
(GTC000045A)
Show SMILES C[C@H](N1CC[C@H](N(C)S(=O)(=O)CCc2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H26ClN3O5S2/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/h3-4,13,15H,5-12H2,1-2H3/t13-,15-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226106
PNG
(GTC000093A)
Show SMILES CN(C)CCN([C@H]1CCN(C1=O)c1ccc(cc1F)C(=O)N(C)C)S(=O)(=O)\C=C(/C)c1ccc(Cl)s1
Show InChI InChI=1S/C24H30ClFN4O4S2/c1-16(21-8-9-22(25)35-21)15-36(33,34)30(13-12-27(2)3)20-10-11-29(24(20)32)19-7-6-17(14-18(19)26)23(31)28(4)5/h6-9,14-15,20H,10-13H2,1-5H3/b16-15+/t20-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226087
PNG
(GTC000074A)
Show SMILES CN(Cc1ccccn1)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C25H24ClFN4O4S2/c1-16(22-8-9-23(26)36-22)15-37(34,35)29-20-10-12-31(25(20)33)21-7-6-17(13-19(21)27)24(32)30(2)14-18-5-3-4-11-28-18/h3-9,11,13,15,20,29H,10,12,14H2,1-2H3/b16-15+/t20-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226076
PNG
(GTC000063A)
Show SMILES CN(CC=C)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C21H21ClFN3O4S2/c1-3-10-25(2)20(27)14-4-6-18(16(23)13-14)26-11-8-17(21(26)28)24-32(29,30)12-9-15-5-7-19(22)31-15/h3-7,9,12-13,17,24H,1,8,10-11H2,2H3/b12-9+/t17-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
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
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226090
PNG
(GTC000077A)
Show SMILES COCCN(C)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C22H25ClFN3O5S2/c1-14(19-6-7-20(23)33-19)13-34(30,31)25-17-8-9-27(22(17)29)18-5-4-15(12-16(18)24)21(28)26(2)10-11-32-3/h4-7,12-13,17,25H,8-11H2,1-3H3/b14-13+/t17-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226067
PNG
(GTC000054A)
Show SMILES CN(CCc1ccccc1)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C26H25ClFN3O4S2/c1-30(14-11-18-5-3-2-4-6-18)25(32)19-7-9-23(21(28)17-19)31-15-12-22(26(31)33)29-37(34,35)16-13-20-8-10-24(27)36-20/h2-10,13,16-17,22,29H,11-12,14-15H2,1H3/b16-13+/t22-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226094
PNG
(GTC000081A)
Show SMILES CN(CCN)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1
Show InChI InChI=1S/C22H22ClFN4O4S2/c1-27(9-7-25)21(29)14-3-5-18(16(24)10-14)28-8-6-17(22(28)30)26-34(31,32)20-11-13-2-4-15(23)12-19(13)33-20/h2-5,10-12,17,26H,6-9,25H2,1H3/t17-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226086
PNG
(GTC000073A)
Show SMILES CN(CCO)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C21H23ClFN3O5S2/c1-13(18-5-6-19(22)32-18)12-33(30,31)24-16-7-8-26(21(16)29)17-4-3-14(11-15(17)23)20(28)25(2)9-10-27/h3-6,11-12,16,24,27H,7-10H2,1-2H3/b13-12+/t16-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226079
PNG
(GTC000066A)
Show SMILES CN(CCN1CCCC1)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C24H28ClFN4O4S2/c1-28(13-14-29-10-2-3-11-29)23(31)17-4-6-21(19(26)16-17)30-12-8-20(24(30)32)27-36(33,34)15-9-18-5-7-22(25)35-18/h4-7,9,15-16,20,27H,2-3,8,10-14H2,1H3/b15-9+/t20-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226071
PNG
(GTC000058A)
Show SMILES CN(CCO)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C20H21ClFN3O5S2/c1-24(9-10-26)19(27)13-2-4-17(15(22)12-13)25-8-6-16(20(25)28)23-32(29,30)11-7-14-3-5-18(21)31-14/h2-5,7,11-12,16,23,26H,6,8-10H2,1H3/b11-7+/t16-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226074
PNG
(GTC000061A)
Show SMILES CN(C)CCN(C)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C22H26ClFN4O4S2/c1-26(2)11-12-27(3)21(29)15-4-6-19(17(24)14-15)28-10-8-18(22(28)30)25-34(31,32)13-9-16-5-7-20(23)33-16/h4-7,9,13-14,18,25H,8,10-12H2,1-3H3/b13-9+/t18-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226092
PNG
(GTC000079A)
Show SMILES CN(C)CCN(C)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1
Show InChI InChI=1S/C24H26ClFN4O4S2/c1-28(2)10-11-29(3)23(31)16-5-7-20(18(26)12-16)30-9-8-19(24(30)32)27-36(33,34)22-13-15-4-6-17(25)14-21(15)35-22/h4-7,12-14,19,27H,8-11H2,1-3H3/t19-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226081
PNG
(GTC000068A)
Show SMILES CN(CCCO)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C21H23ClFN3O5S2/c1-25(9-2-11-27)20(28)14-3-5-18(16(23)13-14)26-10-7-17(21(26)29)24-33(30,31)12-8-15-4-6-19(22)32-15/h3-6,8,12-13,17,24,27H,2,7,9-11H2,1H3/b12-8+/t17-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226084
PNG
(GTC000071A)
Show SMILES CN(CC(O)=O)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C20H19ClFN3O6S2/c1-24(11-18(26)27)19(28)12-2-4-16(14(22)10-12)25-8-6-15(20(25)29)23-33(30,31)9-7-13-3-5-17(21)32-13/h2-5,7,9-10,15,23H,6,8,11H2,1H3,(H,26,27)/b9-7+/t15-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226069
PNG
(GTC000056A)
Show SMILES Fc1cc(ccc1N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)NCc1ccncc1
Show InChI InChI=1S/C23H20ClFN4O4S2/c24-21-4-2-17(34-21)8-12-35(32,33)28-19-7-11-29(23(19)31)20-3-1-16(13-18(20)25)22(30)27-14-15-5-9-26-10-6-15/h1-6,8-10,12-13,19,28H,7,11,14H2,(H,27,30)/b12-8+/t19-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226080
PNG
(GTC000067A)
Show SMILES CN(CCc1c[nH]cn1)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C23H23ClFN5O4S2/c1-29(9-6-16-13-26-14-27-16)22(31)15-2-4-20(18(25)12-15)30-10-7-19(23(30)32)28-36(33,34)11-8-17-3-5-21(24)35-17/h2-5,8,11-14,19,28H,6-7,9-10H2,1H3,(H,26,27)/b11-8+/t19-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226083
PNG
(GTC000070A)
Show SMILES CN(CCc1nc[nH]c1C)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C24H25ClFN5O4S2/c1-15-19(28-14-27-15)7-10-30(2)23(32)16-3-5-21(18(26)13-16)31-11-8-20(24(31)33)29-37(34,35)12-9-17-4-6-22(25)36-17/h3-6,9,12-14,20,29H,7-8,10-11H2,1-2H3,(H,27,28)/b12-9+/t20-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226073
PNG
(GTC000060A)
Show SMILES COCCN(C)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C21H23ClFN3O5S2/c1-25(10-11-31-2)20(27)14-3-5-18(16(23)13-14)26-9-7-17(21(26)28)24-33(29,30)12-8-15-4-6-19(22)32-15/h3-6,8,12-13,17,24H,7,9-11H2,1-2H3/b12-8+/t17-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226082
PNG
(GTC000069A)
Show SMILES CNC(=O)CCN(C)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C22H24ClFN4O5S2/c1-25-20(29)8-10-27(2)21(30)14-3-5-18(16(24)13-14)28-11-7-17(22(28)31)26-35(32,33)12-9-15-4-6-19(23)34-15/h3-6,9,12-13,17,26H,7-8,10-11H2,1-2H3,(H,25,29)/b12-9+/t17-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226075
PNG
(GTC000062A)
Show SMILES CN(CCS(C)(=O)=O)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C21H23ClFN3O6S3/c1-25(10-12-34(2,29)30)20(27)14-3-5-18(16(23)13-14)26-9-7-17(21(26)28)24-35(31,32)11-8-15-4-6-19(22)33-15/h3-6,8,11,13,17,24H,7,9-10,12H2,1-2H3/b11-8+/t17-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226077
PNG
(GTC000064A)
Show SMILES CN(CC(N)=O)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C20H20ClFN4O5S2/c1-25(11-18(23)27)19(28)12-2-4-16(14(22)10-12)26-8-6-15(20(26)29)24-33(30,31)9-7-13-3-5-17(21)32-13/h2-5,7,9-10,15,24H,6,8,11H2,1H3,(H2,23,27)/b9-7+/t15-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226078
PNG
(GTC000065A)
Show SMILES CN(Cc1ccncc1)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C24H22ClFN4O4S2/c1-29(15-16-6-10-27-11-7-16)23(31)17-2-4-21(19(26)14-17)30-12-8-20(24(30)32)28-36(33,34)13-9-18-3-5-22(25)35-18/h2-7,9-11,13-14,20,28H,8,12,15H2,1H3/b13-9+/t20-/m0/s1
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D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226070
PNG
(GTC000057A)
Show SMILES Fc1cc(ccc1N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)NCc1cccnc1
Show InChI InChI=1S/C23H20ClFN4O4S2/c24-21-6-4-17(34-21)8-11-35(32,33)28-19-7-10-29(23(19)31)20-5-3-16(12-18(20)25)22(30)27-14-15-2-1-9-26-13-15/h1-6,8-9,11-13,19,28H,7,10,14H2,(H,27,30)/b11-8+/t19-/m0/s1
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n/an/a 1.54E+3n/an/an/an/an/an/a



D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226115
PNG
(GTC000106A)
Show SMILES CC(C)N(C)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1
Show InChI InChI=1S/C23H23ClFN3O4S2/c1-13(2)27(3)22(29)15-5-7-19(17(25)10-15)28-9-8-18(23(28)30)26-34(31,32)21-11-14-4-6-16(24)12-20(14)33-21/h4-7,10-13,18,26H,8-9H2,1-3H3/t18-/m0/s1
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n/an/a 1.69E+3n/an/an/an/an/an/a



D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226064
PNG
(GTC000051A)
Show SMILES COC[C@H](N1CC[C@H](N(CC(=O)N(C)C)S(=O)(=O)CCc2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C22H33ClN4O7S2/c1-24(2)20(28)14-27(36(31,32)13-7-16-4-5-19(23)35-16)17-6-8-26(22(17)30)18(15-33-3)21(29)25-9-11-34-12-10-25/h4-5,17-18H,6-15H2,1-3H3/t17-,18-/m0/s1
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n/an/a 2.09E+3n/an/an/an/an/an/a



D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226085
PNG
(GTC000072A)
Show SMILES OC(=O)CNC(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C19H17ClFN3O6S2/c20-16-4-2-12(31-16)6-8-32(29,30)23-14-5-7-24(19(14)28)15-3-1-11(9-13(15)21)18(27)22-10-17(25)26/h1-4,6,8-9,14,23H,5,7,10H2,(H,22,27)(H,25,26)/b8-6+/t14-/m0/s1
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n/an/a 4.17E+3n/an/an/an/an/an/a



D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226061
PNG
(GTC000048A)
Show SMILES CC[C@H](C)[C@H](N1CC[C@H](N(CC(=O)N(C)C)S(=O)(=O)CCc2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H37ClN4O6S2/c1-5-17(2)22(24(32)27-11-13-35-14-12-27)28-10-8-19(23(28)31)29(16-21(30)26(3)4)37(33,34)15-9-18-6-7-20(25)36-18/h6-7,17,19,22H,5,8-16H2,1-4H3/t17-,19-,22-/m0/s1
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n/an/a 4.38E+3n/an/an/an/an/an/a



D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226072
PNG
(GTC000059A)
Show SMILES Fc1cc(ccc1N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H21ClFN3O4S2/c25-22-9-7-18(34-22)11-13-35(32,33)28-20-10-12-29(24(20)31)21-8-6-17(14-19(21)26)23(30)27-15-16-4-2-1-3-5-16/h1-9,11,13-14,20,28H,10,12,15H2,(H,27,30)/b13-11+/t20-/m0/s1
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n/an/a 4.39E+3n/an/an/an/an/an/a



D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226063
PNG
(GTC000050A)
Show SMILES CC[C@H](C)[C@H](N1CC[C@H](N(C)S(=O)(=O)CCc2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H32ClN3O5S2/c1-4-15(2)19(21(27)24-10-12-30-13-11-24)25-9-7-17(20(25)26)23(3)32(28,29)14-8-16-5-6-18(22)31-16/h5-6,15,17,19H,4,7-14H2,1-3H3/t15-,17-,19-/m0/s1
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n/an/a 5.94E+3n/an/an/an/an/an/a



D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226062
PNG
(GTC000049A)
Show SMILES CC[C@H](C)[C@H](N1CC[C@H](N(CC(=O)NC)S(=O)(=O)CCc2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H35ClN4O6S2/c1-4-16(2)21(23(31)26-10-12-34-13-11-26)27-9-7-18(22(27)30)28(15-20(29)25-3)36(32,33)14-8-17-5-6-19(24)35-17/h5-6,16,18,21H,4,7-15H2,1-3H3,(H,25,29)/t16-,18-,21-/m0/s1
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n/an/a 6.67E+3n/an/an/an/an/an/a



D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM226065
PNG
(GTC000052A)
Show SMILES CN([C@H]1CCN([C@@H](Cc2nc(C)no2)C(=O)N2CCOCC2)C1=O)S(=O)(=O)CCc1ccc(Cl)s1
Show InChI InChI=1S/C21H28ClN5O6S2/c1-14-23-19(33-24-14)13-17(20(28)26-8-10-32-11-9-26)27-7-5-16(21(27)29)25(2)35(30,31)12-6-15-3-4-18(22)34-15/h3-4,16-17H,5-13H2,1-2H3/t16-,17-/m0/s1
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n/an/a 2.17E+4n/an/an/an/an/an/a



D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%