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Compile Data Set for Download or QSAR

Found 25 hits of Enz. Inhib. data with enzyme = 'Coagulation factor X' and Substrate = 'BDBM17640'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (human))
BDBM17654
PNG
(5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(morph...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ncc(s2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H21ClN4O5S3/c1-11(16(24)22-6-8-28-9-7-22)23-5-4-12(17(23)25)21-31(26,27)18-20-10-14(30-18)13-2-3-15(19)29-13/h2-3,10-12,21H,4-9H2,1H3/t11-,12-/m0/s1
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2 -11.7n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17641
PNG
(5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(morph...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc(s2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H22ClN3O5S3/c1-12(18(24)22-8-10-28-11-9-22)23-7-6-13(19(23)25)21-31(26,27)17-5-3-15(30-17)14-2-4-16(20)29-14/h2-5,12-13,21H,6-11H2,1H3/t12-,13-/m0/s1
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4 -11.3n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM17643
PNG
((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1
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4 -11.3n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM17653
PNG
(2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(morph...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2cnc(s2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H21ClN4O5S3/c1-11(17(24)22-6-8-28-9-7-22)23-5-4-12(18(23)25)21-31(26,27)15-10-20-16(30-15)13-2-3-14(19)29-13/h2-3,10-12,21H,4-9H2,1H3/t11-,12-/m0/s1
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5 -11.2n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12538
PNG
(6-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1
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6 -11.1n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM17642
PNG
((E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-(morpholi...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)cc2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H24ClN3O5S/c1-14(18(24)22-9-11-28-12-10-22)23-8-6-17(19(23)25)21-29(26,27)13-7-15-2-4-16(20)5-3-15/h2-5,7,13-14,17,21H,6,8-12H2,1H3/b13-7+/t14-,17-/m0/s1
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11 -10.7n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM12547
PNG
(6-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3ccc(Cl)cc3s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H22ClN3O5S2/c1-12(18(24)22-6-8-28-9-7-22)23-5-4-15(19(23)25)21-30(26,27)17-10-13-2-3-14(20)11-16(13)29-17/h2-3,10-12,15,21H,4-9H2,1H3/t12-,15-/m0/s1
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15 -10.6n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM17656
PNG
(6-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(morph...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc(nc2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H23ClN4O5S2/c1-13(19(26)24-8-10-30-11-9-24)25-7-6-16(20(25)27)23-32(28,29)14-2-3-15(22-12-14)17-4-5-18(21)31-17/h2-5,12-13,16,23H,6-11H2,1H3/t13-,16-/m0/s1
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24 -10.3n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12546
PNG
(5-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H22ClN3O5S2/c1-12(18(24)22-6-8-28-9-7-22)23-5-4-15(19(23)25)21-30(26,27)17-11-13-10-14(20)2-3-16(13)29-17/h2-3,10-12,15,21H,4-9H2,1H3/t12-,15-/m0/s1
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47 -9.89n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM12550
PNG
(5-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H23ClN4O5S/c1-12(18(25)23-6-8-29-9-7-23)24-5-4-16(19(24)26)22-30(27,28)17-11-13-10-14(20)2-3-15(13)21-17/h2-3,10-12,16,21-22H,4-9H2,1H3/t12-,16-/m0/s1
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90 -9.51n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM17644
PNG
(6-methyl-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(C)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C22H27N3O5S/c1-15-3-4-18-14-19(6-5-17(18)13-15)31(28,29)23-20-7-8-25(22(20)27)16(2)21(26)24-9-11-30-12-10-24/h3-6,13-14,16,20,23H,7-12H2,1-2H3/t16-,20-/m0/s1
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109 -9.40n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12548
PNG
(5-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2nc3cc(Cl)ccc3s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H21ClN4O5S2/c1-11(16(24)22-6-8-28-9-7-22)23-5-4-13(17(23)25)21-30(26,27)18-20-14-10-12(19)2-3-15(14)29-18/h2-3,10-11,13,21H,4-9H2,1H3/t11-,13-/m0/s1
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112 -9.38n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17647
PNG
(5-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3nc(Cl)ccc3s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H21ClN4O5S2/c1-11(17(24)22-6-8-28-9-7-22)23-5-4-12(18(23)25)21-30(26,27)16-10-13-14(29-16)2-3-15(19)20-13/h2-3,10-12,21H,4-9H2,1H3/t11-,12-/m0/s1
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163 -9.16n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17645
PNG
(5-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3sc(Cl)cc3s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H20ClN3O5S3/c1-10(16(22)20-4-6-26-7-5-20)21-3-2-11(17(21)23)19-29(24,25)15-9-13-12(28-15)8-14(18)27-13/h8-11,19H,2-7H2,1H3/t10-,11-/m0/s1
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165 -9.15n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12551
PNG
(6-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3ccc(Cl)cc3[nH]2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H23ClN4O5S/c1-12(18(25)23-6-8-29-9-7-23)24-5-4-15(19(24)26)22-30(27,28)17-10-13-2-3-14(20)11-16(13)21-17/h2-3,10-12,15,21-22H,4-9H2,1H3/t12-,15-/m0/s1
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170 -9.14n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12553
PNG
(6-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3ccc(Cl)cc3o2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H22ClN3O6S/c1-12(18(24)22-6-8-28-9-7-22)23-5-4-15(19(23)25)21-30(26,27)17-10-13-2-3-14(20)11-16(13)29-17/h2-3,10-12,15,21H,4-9H2,1H3/t12-,15-/m0/s1
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285 -8.83n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17646
PNG
(4-[(E)-2-chloroethenyl]-N-[(3S)-1-[(2S)-1-(morphol...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc(\C=C\Cl)cc2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H24ClN3O5S/c1-14(18(24)22-10-12-28-13-11-22)23-9-7-17(19(23)25)21-29(26,27)16-4-2-15(3-5-16)6-8-20/h2-6,8,14,17,21H,7,9-13H2,1H3/b8-6+/t14-,17-/m0/s1
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314 -8.78n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17655
PNG
(5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(morph...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2nnc([nH]2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H21ClN6O5S2/c1-10(15(25)23-6-8-29-9-7-23)24-5-4-11(16(24)26)22-31(27,28)17-19-14(20-21-17)12-2-3-13(18)30-12/h2-3,10-11,22H,4-9H2,1H3,(H,19,20,21)/t10-,11-/m0/s1
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534 -8.46n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12552
PNG
(5-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3o2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H22ClN3O6S/c1-12(18(24)22-6-8-28-9-7-22)23-5-4-15(19(23)25)21-30(26,27)17-11-13-10-14(20)2-3-16(13)29-17/h2-3,10-12,15,21H,4-9H2,1H3/t12-,15-/m0/s1
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782 -8.24n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17652
PNG
(5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(morph...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc(o2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H22ClN3O6S2/c1-12(18(24)22-8-10-28-11-9-22)23-7-6-13(19(23)25)21-31(26,27)17-5-2-14(29-17)15-3-4-16(20)30-15/h2-5,12-13,21H,6-11H2,1H3/t12-,13-/m0/s1
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1.20E+3 -7.99n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17648
PNG
(5-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)cnc3s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H21ClN4O5S2/c1-11(17(24)22-4-6-28-7-5-22)23-3-2-14(18(23)25)21-30(26,27)15-9-12-8-13(19)10-20-16(12)29-15/h8-11,14,21H,2-7H2,1H3/t11-,14-/m0/s1
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2.90E+3 -7.47n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17651
PNG
(5-(5-chloro-1,3-thiazol-2-yl)-N-[(3S)-1-[(2S)-1-(m...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc(s2)-c2ncc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H21ClN4O5S3/c1-11(17(24)22-6-8-28-9-7-22)23-5-4-12(18(23)25)21-31(26,27)15-3-2-13(29-15)16-20-10-14(19)30-16/h2-3,10-12,21H,4-9H2,1H3/t11-,12-/m0/s1
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3.23E+3 -7.41n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17649
PNG
(6-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3ncc(Cl)cc3s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H21ClN4O5S2/c1-11(17(24)22-4-6-28-7-5-22)23-3-2-13(18(23)25)21-30(26,27)16-9-14-15(29-16)8-12(19)10-20-14/h8-11,13,21H,2-7H2,1H3/t11-,13-/m0/s1
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3.67E+3 -7.34n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12549
PNG
(6-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2nc3ccc(Cl)cc3s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H21ClN4O5S2/c1-11(16(24)22-6-8-28-9-7-22)23-5-4-14(17(23)25)21-30(26,27)18-20-13-3-2-12(19)10-15(13)29-18/h2-3,10-11,14,21H,4-9H2,1H3/t11-,14-/m0/s1
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4.16E+3 -7.26n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17650
PNG
(5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[(3S)-1-[(2S)...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc(s2)-c2nnc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H20ClN5O5S3/c1-10(15(24)22-6-8-28-9-7-22)23-5-4-11(16(23)25)21-31(26,27)13-3-2-12(29-13)14-19-20-17(18)30-14/h2-3,10-11,21H,4-9H2,1H3/t10-,11-/m0/s1
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>1.58E+4>-6.48n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair