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Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'haarer' and Initial = 's'   
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))
BDBM50328726
PNG
((2R,4R)-N1-(4-chlorophenyl)-N2-(3-fluoro-2'-(methy...)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O |r|
Show InChI InChI=1S/C26H25ClFN3O5S/c1-36-19-14-23(31(15-19)26(33)29-18-10-8-17(27)9-11-18)25(32)30-22-12-7-16(13-21(22)28)20-5-3-4-6-24(20)37(2,34)35/h3-13,19,23H,14-15H2,1-2H3,(H,29,33)(H,30,32)/t19-,23-/m1/s1
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Article
PubMed
n/an/a 0.160n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50328728
PNG
((2R,4R)-N1-(4-chlorophenyl)-N2-(3-fluoro-2'-(methy...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1 |r|
Show InChI InChI=1S/C25H23ClFN3O5S/c1-36(34,35)23-5-3-2-4-19(23)15-6-11-21(20(27)12-15)29-24(32)22-13-18(31)14-30(22)25(33)28-17-9-7-16(26)8-10-17/h2-12,18,22,31H,13-14H2,1H3,(H,28,33)(H,29,32)/t18-,22-/m1/s1
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n/an/a 0.380n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM81692
PNG
(4-Substituted Pyrrolidine Ring, 14)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC(O)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1 |r|
Show InChI InChI=1S/C24H22ClFN4O5S/c25-15-6-8-16(9-7-15)28-24(33)30-13-17(31)12-21(30)23(32)29-20-10-5-14(11-19(20)26)18-3-1-2-4-22(18)36(27,34)35/h1-11,17,21,31H,12-13H2,(H,28,33)(H,29,32)(H2,27,34,35)/t17?,21-/m1/s1
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n/an/a 0.75n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM81698
PNG
(4-Substituted Pyrrolidine Ring, 35)
Show SMILES COC1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O |r|
Show InChI InChI=1S/C25H24ClFN4O5S/c1-36-17-12-21(31(14-17)25(33)30-23-10-8-16(26)13-28-23)24(32)29-20-9-7-15(11-19(20)27)18-5-3-4-6-22(18)37(2,34)35/h3-11,13,17,21H,12,14H2,1-2H3,(H,29,32)(H,28,30,33)/t17?,21-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM81693
PNG
(4-Substituted Pyrrolidine Ring, 16 | 4-Substituted...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC(F)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1 |r|
Show InChI InChI=1S/C25H22ClF2N3O4S/c1-36(34,35)23-5-3-2-4-19(23)15-6-11-21(20(28)12-15)30-24(32)22-13-17(27)14-31(22)25(33)29-18-9-7-16(26)8-10-18/h2-12,17,22H,13-14H2,1H3,(H,29,33)(H,30,32)/t17?,22-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50328726
PNG
((2R,4R)-N1-(4-chlorophenyl)-N2-(3-fluoro-2'-(methy...)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O |r|
Show InChI InChI=1S/C26H25ClFN3O5S/c1-36-19-14-23(31(15-19)26(33)29-18-10-8-17(27)9-11-18)25(32)30-22-12-7-16(13-21(22)28)20-5-3-4-6-24(20)37(2,34)35/h3-13,19,23H,14-15H2,1-2H3,(H,29,33)(H,30,32)/t19-,23-/m1/s1
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Article
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM81695
PNG
(4-Substituted Pyrrolidine Ring, 20)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC(=O)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1 |r|
Show InChI InChI=1S/C25H21ClFN3O5S/c1-36(34,35)23-5-3-2-4-19(23)15-6-11-21(20(27)12-15)29-24(32)22-13-18(31)14-30(22)25(33)28-17-9-7-16(26)8-10-17/h2-12,22H,13-14H2,1H3,(H,28,33)(H,29,32)/t22-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM81697
PNG
(4-Substituted Pyrrolidine Ring, 34)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC(O)CN2C(=O)Nc2ccc(Cl)cn2)c(F)c1 |r|
Show InChI InChI=1S/C24H22ClFN4O5S/c1-36(34,35)21-5-3-2-4-17(21)14-6-8-19(18(26)10-14)28-23(32)20-11-16(31)13-30(20)24(33)29-22-9-7-15(25)12-27-22/h2-10,12,16,20,31H,11,13H2,1H3,(H,28,32)(H,27,29,33)/t16?,20-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM81696
PNG
(4-Substituted Pyrrolidine Ring, 21)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC(F)(F)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1 |r|
Show InChI InChI=1S/C25H21ClF3N3O4S/c1-37(35,36)22-5-3-2-4-18(22)15-6-11-20(19(27)12-15)31-23(33)21-13-25(28,29)14-32(21)24(34)30-17-9-7-16(26)8-10-17/h2-12,21H,13-14H2,1H3,(H,30,34)(H,31,33)/t21-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50328728
PNG
((2R,4R)-N1-(4-chlorophenyl)-N2-(3-fluoro-2'-(methy...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1 |r|
Show InChI InChI=1S/C25H23ClFN3O5S/c1-36(34,35)23-5-3-2-4-19(23)15-6-11-21(20(27)12-15)29-24(32)22-13-18(31)14-30(22)25(33)28-17-9-7-16(26)8-10-17/h2-12,18,22,31H,13-14H2,1H3,(H,28,33)(H,29,32)/t18-,22-/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM81693
PNG
(4-Substituted Pyrrolidine Ring, 16 | 4-Substituted...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC(F)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1 |r|
Show InChI InChI=1S/C25H22ClF2N3O4S/c1-36(34,35)23-5-3-2-4-19(23)15-6-11-21(20(28)12-15)30-24(32)22-13-17(27)14-31(22)25(33)29-18-9-7-16(26)8-10-18/h2-12,17,22H,13-14H2,1H3,(H,29,33)(H,30,32)/t17?,22-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM81699
PNG
(4-Substituted Pyrrolidine Ring, 36)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC(O)CN2C(=O)Nc2ccc(F)cc2)c(F)c1 |r|
Show InChI InChI=1S/C25H23F2N3O5S/c1-36(34,35)23-5-3-2-4-19(23)15-6-11-21(20(27)12-15)29-24(32)22-13-18(31)14-30(22)25(33)28-17-9-7-16(26)8-10-17/h2-12,18,22,31H,13-14H2,1H3,(H,28,33)(H,29,32)/t18?,22-/m1/s1
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n/an/a 7.60n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50328725
PNG
((R)-N1-(4-chlorophenyl)-N2-(3-fluoro-2'-sulfamoylb...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)c(F)c1 |r|
Show InChI InChI=1S/C24H22ClFN4O4S/c25-16-8-10-17(11-9-16)28-24(32)30-13-3-5-21(30)23(31)29-20-12-7-15(14-19(20)26)18-4-1-2-6-22(18)35(27,33)34/h1-2,4,6-12,14,21H,3,5,13H2,(H,28,32)(H,29,31)(H2,27,33,34)/t21-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM81681
PNG
(P1 Phenyl Ring, 22)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccc(Br)cc2)c(F)c1
Show InChI InChI=1S/C24H22BrFN4O4S/c25-16-8-10-17(11-9-16)28-24(32)30-13-3-5-21(30)23(31)29-20-12-7-15(14-19(20)26)18-4-1-2-6-22(18)35(27,33)34/h1-2,4,6-12,14,21H,3,5,13H2,(H,28,32)(H,29,31)(H2,27,33,34)
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n/an/a 33n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50328725
PNG
((R)-N1-(4-chlorophenyl)-N2-(3-fluoro-2'-sulfamoylb...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)c(F)c1 |r|
Show InChI InChI=1S/C24H22ClFN4O4S/c25-16-8-10-17(11-9-16)28-24(32)30-13-3-5-21(30)23(31)29-20-12-7-15(14-19(20)26)18-4-1-2-6-22(18)35(27,33)34/h1-2,4,6-12,14,21H,3,5,13H2,(H,28,32)(H,29,31)(H2,27,33,34)/t21-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM81682
PNG
(P1 Phenyl Ring, 24)
Show SMILES Cc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(cc2F)-c2ccccc2S(N)(=O)=O)cc1
Show InChI InChI=1S/C25H25FN4O4S/c1-16-8-11-18(12-9-16)28-25(32)30-14-4-6-22(30)24(31)29-21-13-10-17(15-20(21)26)19-5-2-3-7-23(19)35(27,33)34/h2-3,5,7-13,15,22H,4,6,14H2,1H3,(H,28,32)(H,29,31)(H2,27,33,34)
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n/an/a 389n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM81683
PNG
(P1 Phenyl Ring, 25)
Show SMILES Cc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(cc2F)-c2ccccc2S(N)(=O)=O)cc1F
Show InChI InChI=1S/C25H24F2N4O4S/c1-15-8-10-17(14-19(15)26)29-25(33)31-12-4-6-22(31)24(32)30-21-11-9-16(13-20(21)27)18-5-2-3-7-23(18)36(28,34)35/h2-3,5,7-11,13-14,22H,4,6,12H2,1H3,(H,29,33)(H,30,32)(H2,28,34,35)
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n/an/a 516n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM81684
PNG
(P1 Phenyl Ring, 26)
Show SMILES COc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(cc2F)-c2ccccc2S(N)(=O)=O)cc1
Show InChI InChI=1S/C25H25FN4O5S/c1-35-18-11-9-17(10-12-18)28-25(32)30-14-4-6-22(30)24(31)29-21-13-8-16(15-20(21)26)19-5-2-3-7-23(19)36(27,33)34/h2-3,5,7-13,15,22H,4,6,14H2,1H3,(H,28,32)(H,29,31)(H2,27,33,34)
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n/an/a 873n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM81685
PNG
(P1 Phenyl Ring, 27)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2)c(F)c1
Show InChI InChI=1S/C24H23FN4O4S/c25-19-15-16(18-9-4-5-11-22(18)34(26,32)33)12-13-20(19)28-23(30)21-10-6-14-29(21)24(31)27-17-7-2-1-3-8-17/h1-5,7-9,11-13,15,21H,6,10,14H2,(H,27,31)(H,28,30)(H2,26,32,33)
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n/an/a 951n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM81686
PNG
(P1 Phenyl Ring, 28)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2cccc(Cl)c2)c(F)c1
Show InChI InChI=1S/C24H22ClFN4O4S/c25-16-5-3-6-17(14-16)28-24(32)30-12-4-8-21(30)23(31)29-20-11-10-15(13-19(20)26)18-7-1-2-9-22(18)35(27,33)34/h1-3,5-7,9-11,13-14,21H,4,8,12H2,(H,28,32)(H,29,31)(H2,27,33,34)
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n/an/a>4.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM81687
PNG
(P1 Phenyl Ring, 29)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)c(F)c1
Show InChI InChI=1S/C24H21Cl2FN4O4S/c25-17-9-8-15(13-18(17)26)29-24(33)31-11-3-5-21(31)23(32)30-20-10-7-14(12-19(20)27)16-4-1-2-6-22(16)36(28,34)35/h1-2,4,6-10,12-13,21H,3,5,11H2,(H,29,33)(H,30,32)(H2,28,34,35)
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n/an/a>4.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM81688
PNG
(P1 Phenyl Ring, 30)
Show SMILES CCc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(cc2F)-c2ccccc2S(N)(=O)=O)cc1
Show InChI InChI=1S/C26H27FN4O4S/c1-2-17-9-12-19(13-10-17)29-26(33)31-15-5-7-23(31)25(32)30-22-14-11-18(16-21(22)27)20-6-3-4-8-24(20)36(28,34)35/h3-4,6,8-14,16,23H,2,5,7,15H2,1H3,(H,29,33)(H,30,32)(H2,28,34,35)
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n/an/a>4.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM81689
PNG
(P1 Phenyl Ring, 31)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccc(cc2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H22F4N4O4S/c26-19-14-15(18-4-1-2-6-22(18)38(30,36)37)7-12-20(19)32-23(34)21-5-3-13-33(21)24(35)31-17-10-8-16(9-11-17)25(27,28)29/h1-2,4,6-12,14,21H,3,5,13H2,(H,31,35)(H,32,34)(H2,30,36,37)
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Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM81690
PNG
(P1 Phenyl Ring, 32)
Show SMILES COc1cccc(NC(=O)N2CCCC2C(=O)Nc2ccc(cc2F)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C25H25FN4O5S/c1-35-18-7-4-6-17(15-18)28-25(32)30-13-5-9-22(30)24(31)29-21-12-11-16(14-20(21)26)19-8-2-3-10-23(19)36(27,33)34/h2-4,6-8,10-12,14-15,22H,5,9,13H2,1H3,(H,28,32)(H,29,31)(H2,27,33,34)
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Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM81691
PNG
(P1 Phenyl Ring, 33)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2F)c(F)c1
Show InChI InChI=1S/C24H22F2N4O4S/c25-17-7-2-3-8-19(17)29-24(32)30-13-5-9-21(30)23(31)28-20-12-11-15(14-18(20)26)16-6-1-4-10-22(16)35(27,33)34/h1-4,6-8,10-12,14,21H,5,9,13H2,(H,28,31)(H,29,32)(H2,27,33,34)
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n/an/a>4.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development,



Assay Description
FXa inhibition were determined by using an inhibition assay.


Chem Biol Drug Des 69: 444-50 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799
More data for this
Ligand-Target Pair