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PubMed code 17566736

Compile data set for download or QSAR
Found 60 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 VII


(Homo sapiens (human))
BDBM50215423
PNG
(2-(6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccccc1
Show InChI InChI=1S/C23H24ClN5O2/c24-21-20(16-8-4-9-17(25)12-16)29(23(31)22(28-21)27-18-10-5-11-18)14-19(30)26-13-15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,13-14,25H2,(H,26,30)(H,27,28)
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215423
PNG
(2-(6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccccc1
Show InChI InChI=1S/C23H24ClN5O2/c24-21-20(16-8-4-9-17(25)12-16)29(23(31)22(28-21)27-18-10-5-11-18)14-19(30)26-13-15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,13-14,25H2,(H,26,30)(H,27,28)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215433
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)c(F)c1
Show InChI InChI=1S/C24H25ClFN7O2/c25-21-20(13-3-1-4-16(27)9-13)33(24(35)23(32-21)31-17-5-2-6-17)12-19(34)30-11-15-8-7-14(22(28)29)10-18(15)26/h1,3-4,7-10,17H,2,5-6,11-12,27H2,(H3,28,29)(H,30,34)(H,31,32)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215433
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)c(F)c1
Show InChI InChI=1S/C24H25ClFN7O2/c25-21-20(13-3-1-4-16(27)9-13)33(24(35)23(32-21)31-17-5-2-6-17)12-19(34)30-11-15-8-7-14(22(28)29)10-18(15)26/h1,3-4,7-10,17H,2,5-6,11-12,27H2,(H3,28,29)(H,30,34)(H,31,32)
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n/an/a 50n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215425
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1F
Show InChI InChI=1S/C24H25ClFN7O2/c25-21-20(14-3-1-4-15(27)10-14)33(24(35)23(32-21)31-16-5-2-6-16)12-19(34)30-11-13-7-8-17(22(28)29)18(26)9-13/h1,3-4,7-10,16H,2,5-6,11-12,27H2,(H3,28,29)(H,30,34)(H,31,32)
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n/an/a 60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215426
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1c(O)c(F)c(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)c(F)c1F
Show InChI InChI=1S/C24H23ClF3N7O3/c25-21-19(10-3-1-4-11(29)7-10)35(24(38)23(34-21)33-12-5-2-6-12)9-14(36)32-8-13-16(26)18(28)15(22(30)31)20(37)17(13)27/h1,3-4,7,12,37H,2,5-6,8-9,29H2,(H3,30,31)(H,32,36)(H,33,34)
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n/an/a 110n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215421
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1O
Show InChI InChI=1S/C24H26ClN7O3/c25-21-20(14-3-1-4-15(26)10-14)32(24(35)23(31-21)30-16-5-2-6-16)12-19(34)29-11-13-7-8-17(22(27)28)18(33)9-13/h1,3-4,7-10,16,33H,2,5-6,11-12,26H2,(H3,27,28)(H,29,34)(H,30,31)
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n/an/a 190n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215436
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H25ClF3N7O2/c26-21-20(13-3-1-4-16(30)9-13)36(24(38)23(35-21)34-17-5-2-6-17)12-19(37)33-11-15-8-7-14(22(31)32)10-18(15)25(27,28)29/h1,3-4,7-10,17H,2,5-6,11-12,30H2,(H3,31,32)(H,33,37)(H,34,35)
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n/an/a 790n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215427
PNG
(CHEMBL243318 | N-(4-(aminomethyl)benzyl)-2-(6-(3-a...)
Show SMILES NCc1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1
Show InChI InChI=1S/C24H27ClN6O2/c25-22-21(17-3-1-4-18(27)11-17)31(24(33)23(30-22)29-19-5-2-6-19)14-20(32)28-13-16-9-7-15(12-26)8-10-16/h1,3-4,7-11,19H,2,5-6,12-14,26-27H2,(H,28,32)(H,29,30)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215428
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1c(F)c(F)c(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)c(F)c1F
Show InChI InChI=1S/C24H22ClF4N7O2/c25-21-20(10-3-1-4-11(30)7-10)36(24(38)23(35-21)34-12-5-2-6-12)9-14(37)33-8-13-16(26)18(28)15(22(31)32)19(29)17(13)27/h1,3-4,7,12H,2,5-6,8-9,30H2,(H3,31,32)(H,33,37)(H,34,35)
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n/an/a 5.48E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215435
PNG
(CHEMBL243108 | N-{[4-(N-aminocarbamimidoyl)phenyl]...)
Show SMILES NN=C(N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1
Show InChI InChI=1S/C24H27ClN8O2/c25-21-20(16-3-1-4-17(26)11-16)33(24(35)23(31-21)30-18-5-2-6-18)13-19(34)29-12-14-7-9-15(10-8-14)22(27)32-28/h1,3-4,7-11,18H,2,5-6,12-13,26,28H2,(H2,27,32)(H,29,34)(H,30,31)
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n/an/a 7.02E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215423
PNG
(2-(6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccccc1
Show InChI InChI=1S/C23H24ClN5O2/c24-21-20(16-8-4-9-17(25)12-16)29(23(31)22(28-21)27-18-10-5-11-18)14-19(30)26-13-15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,13-14,25H2,(H,26,30)(H,27,28)
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n/an/a 1.06E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215432
PNG
(CHEMBL243317 | N-{2-[6-(3-aminophenyl)-5-chloro-3-...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCn1c(c(Cl)nc(NC2CCC2)c1=O)-c1cccc(N)c1
Show InChI InChI=1S/C24H26ClN7O2/c25-20-19(16-3-1-4-17(26)13-16)32(24(34)22(31-20)30-18-5-2-6-18)12-11-29-23(33)15-9-7-14(8-10-15)21(27)28/h1,3-4,7-10,13,18H,2,5-6,11-12,26H2,(H3,27,28)(H,29,33)(H,30,31)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215437
PNG
(CHEMBL243109 | N-((3-aminobenzo[d]isoxazol-6-yl)me...)
Show SMILES Nc1noc2cc(CNC(=O)Cn3c(c(Cl)nc(NC4CCC4)c3=O)-c3cccc(N)c3)ccc12
Show InChI InChI=1S/C24H24ClN7O3/c25-21-20(14-3-1-4-15(26)10-14)32(24(34)23(30-21)29-16-5-2-6-16)12-19(33)28-11-13-7-8-17-18(9-13)35-31-22(17)27/h1,3-4,7-10,16H,2,5-6,11-12,26H2,(H2,27,31)(H,28,33)(H,29,30)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215422
PNG
(CHEMBL243107 | N-(4-(4,5-dihydro-1H-imidazol-2-yl)...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc(cc1)C1=NCCN1
Show InChI InChI=1S/C26H28ClN7O2/c27-23-22(18-3-1-4-19(28)13-18)34(26(36)25(33-23)32-20-5-2-6-20)15-21(35)31-14-16-7-9-17(10-8-16)24-29-11-12-30-24/h1,3-4,7-10,13,20H,2,5-6,11-12,14-15,28H2,(H,29,30)(H,31,35)(H,32,33)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215433
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)c(F)c1
Show InChI InChI=1S/C24H25ClFN7O2/c25-21-20(13-3-1-4-16(27)9-13)33(24(35)23(32-21)31-17-5-2-6-17)12-19(34)30-11-15-8-7-14(22(28)29)10-18(15)26/h1,3-4,7-10,17H,2,5-6,11-12,27H2,(H3,28,29)(H,30,34)(H,31,32)
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n/an/a 1.28E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215431
PNG
(CHEMBL243319 | N-((3-aminobenzo[d]isothiazol-6-yl)...)
Show SMILES Nc1nsc2cc(CNC(=O)Cn3c(c(Cl)nc(NC4CCC4)c3=O)-c3cccc(N)c3)ccc12
Show InChI InChI=1S/C24H24ClN7O2S/c25-21-20(14-3-1-4-15(26)10-14)32(24(34)23(30-21)29-16-5-2-6-16)12-19(33)28-11-13-7-8-17-18(9-13)35-31-22(17)27/h1,3-4,7-10,16H,2,5-6,11-12,26H2,(H2,27,31)(H,28,33)(H,29,30)
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n/an/a 2.68E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215434
PNG
(CHEMBL243539 | N-(2-(1H-imidazol-5-yl)ethyl)-2-(6-...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCCc1cnc[nH]1
Show InChI InChI=1S/C21H24ClN7O2/c22-19-18(13-3-1-4-14(23)9-13)29(21(31)20(28-19)27-15-5-2-6-15)11-17(30)25-8-7-16-10-24-12-26-16/h1,3-4,9-10,12,15H,2,5-8,11,23H2,(H,24,26)(H,25,30)(H,27,28)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215430
PNG
(2-(6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccnc(N)n1
Show InChI InChI=1S/C21H23ClN8O2/c22-18-17(12-3-1-4-13(23)9-12)30(20(32)19(29-18)27-14-5-2-6-14)11-16(31)26-10-15-7-8-25-21(24)28-15/h1,3-4,7-9,14H,2,5-6,10-11,23H2,(H,26,31)(H,27,29)(H2,24,25,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215432
PNG
(CHEMBL243317 | N-{2-[6-(3-aminophenyl)-5-chloro-3-...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCn1c(c(Cl)nc(NC2CCC2)c1=O)-c1cccc(N)c1
Show InChI InChI=1S/C24H26ClN7O2/c25-20-19(16-3-1-4-17(26)13-16)32(24(34)22(31-20)30-18-5-2-6-18)12-11-29-23(33)15-9-7-14(8-10-15)21(27)28/h1,3-4,7-10,13,18H,2,5-6,11-12,26H2,(H3,27,28)(H,29,33)(H,30,31)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215429
PNG
(CHEMBL243759 | N-(2-(2-amino-1H-imidazol-5-yl)ethy...)
Show SMILES Nc1ncc(CCNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)[nH]1
Show InChI InChI=1S/C21H25ClN8O2/c22-18-17(12-3-1-4-13(23)9-12)30(20(32)19(29-18)27-14-5-2-6-14)11-16(31)25-8-7-15-10-26-21(24)28-15/h1,3-4,9-10,14H,2,5-8,11,23H2,(H,25,31)(H,27,29)(H3,24,26,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215437
PNG
(CHEMBL243109 | N-((3-aminobenzo[d]isoxazol-6-yl)me...)
Show SMILES Nc1noc2cc(CNC(=O)Cn3c(c(Cl)nc(NC4CCC4)c3=O)-c3cccc(N)c3)ccc12
Show InChI InChI=1S/C24H24ClN7O3/c25-21-20(14-3-1-4-15(26)10-14)32(24(34)23(30-21)29-16-5-2-6-16)12-19(33)28-11-13-7-8-17-18(9-13)35-31-22(17)27/h1,3-4,7-10,16H,2,5-6,11-12,26H2,(H2,27,31)(H,28,33)(H,29,30)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215438
PNG
((E)-N-((5-amino-2,3-dihydrobenzo[f][1,4]thiazepin-...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc2c(SCCN=C2N)c1
Show InChI InChI=1S/C26H28ClN7O2S/c27-23-22(16-3-1-4-17(28)12-16)34(26(36)25(33-23)32-18-5-2-6-18)14-21(35)31-13-15-7-8-19-20(11-15)37-10-9-30-24(19)29/h1,3-4,7-8,11-12,18H,2,5-6,9-10,13-14,28H2,(H2,29,30)(H,31,35)(H,32,33)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215431
PNG
(CHEMBL243319 | N-((3-aminobenzo[d]isothiazol-6-yl)...)
Show SMILES Nc1nsc2cc(CNC(=O)Cn3c(c(Cl)nc(NC4CCC4)c3=O)-c3cccc(N)c3)ccc12
Show InChI InChI=1S/C24H24ClN7O2S/c25-21-20(14-3-1-4-15(26)10-14)32(24(34)23(30-21)29-16-5-2-6-16)12-19(33)28-11-13-7-8-17-18(9-13)35-31-22(17)27/h1,3-4,7-10,16H,2,5-6,11-12,26H2,(H2,27,31)(H,28,33)(H,29,30)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215430
PNG
(2-(6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccnc(N)n1
Show InChI InChI=1S/C21H23ClN8O2/c22-18-17(12-3-1-4-13(23)9-12)30(20(32)19(29-18)27-14-5-2-6-14)11-16(31)26-10-15-7-8-25-21(24)28-15/h1,3-4,7-9,14H,2,5-6,10-11,23H2,(H,26,31)(H,27,29)(H2,24,25,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215420
PNG
(4-({2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylami...)
Show SMILES NC(=N)c1ccc(cc1)S(=O)(=O)NCCn1c(c(Cl)nc(NC2CCC2)c1=O)-c1cccc(N)c1
Show InChI InChI=1S/C23H26ClN7O3S/c24-20-19(15-3-1-4-16(25)13-15)31(23(32)22(30-20)29-17-5-2-6-17)12-11-28-35(33,34)18-9-7-14(8-10-18)21(26)27/h1,3-4,7-10,13,17,28H,2,5-6,11-12,25H2,(H3,26,27)(H,29,30)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215419
PNG
(CHEMBL243537 | N-((1-amino-4-oxo-3,4-dihydrophthal...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc2c(N)n[nH]c(=O)c2c1
Show InChI InChI=1S/C25H25ClN8O3/c26-21-20(14-3-1-4-15(27)10-14)34(25(37)23(31-21)30-16-5-2-6-16)12-19(35)29-11-13-7-8-17-18(9-13)24(36)33-32-22(17)28/h1,3-4,7-10,16H,2,5-6,11-12,27H2,(H2,28,32)(H,29,35)(H,30,31)(H,33,36)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215425
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1F
Show InChI InChI=1S/C24H25ClFN7O2/c25-21-20(14-3-1-4-15(27)10-14)33(24(35)23(32-21)31-16-5-2-6-16)12-19(34)30-11-13-7-8-17(22(28)29)18(26)9-13/h1,3-4,7-10,16H,2,5-6,11-12,27H2,(H3,28,29)(H,30,34)(H,31,32)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215438
PNG
((E)-N-((5-amino-2,3-dihydrobenzo[f][1,4]thiazepin-...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc2c(SCCN=C2N)c1
Show InChI InChI=1S/C26H28ClN7O2S/c27-23-22(16-3-1-4-17(28)12-16)34(26(36)25(33-23)32-18-5-2-6-18)14-21(35)31-13-15-7-8-19-20(11-15)37-10-9-30-24(19)29/h1,3-4,7-8,11-12,18H,2,5-6,9-10,13-14,28H2,(H2,29,30)(H,31,35)(H,32,33)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50215424
PNG
(CHEMBL243538 | N-((1-aminoisoquinolin-6-yl)methyl)...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc2c(N)nccc2c1
Show InChI InChI=1S/C26H26ClN7O2/c27-23-22(17-3-1-4-18(28)12-17)34(26(36)25(33-23)32-19-5-2-6-19)14-21(35)31-13-15-7-8-20-16(11-15)9-10-30-24(20)29/h1,3-4,7-12,19H,2,5-6,13-14,28H2,(H2,29,30)(H,31,35)(H,32,33)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215434
PNG
(CHEMBL243539 | N-(2-(1H-imidazol-5-yl)ethyl)-2-(6-...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCCc1cnc[nH]1
Show InChI InChI=1S/C21H24ClN7O2/c22-19-18(13-3-1-4-14(23)9-13)29(21(31)20(28-19)27-15-5-2-6-15)11-17(30)25-8-7-16-10-24-12-26-16/h1,3-4,9-10,12,15H,2,5-8,11,23H2,(H,24,26)(H,25,30)(H,27,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215436
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H25ClF3N7O2/c26-21-20(13-3-1-4-16(30)9-13)36(24(38)23(35-21)34-17-5-2-6-17)12-19(37)33-11-15-8-7-14(22(31)32)10-18(15)25(27,28)29/h1,3-4,7-10,17H,2,5-6,11-12,30H2,(H3,31,32)(H,33,37)(H,34,35)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215429
PNG
(CHEMBL243759 | N-(2-(2-amino-1H-imidazol-5-yl)ethy...)
Show SMILES Nc1ncc(CCNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)[nH]1
Show InChI InChI=1S/C21H25ClN8O2/c22-18-17(12-3-1-4-13(23)9-12)30(20(32)19(29-18)27-14-5-2-6-14)11-16(31)25-8-7-15-10-26-21(24)28-15/h1,3-4,9-10,14H,2,5-8,11,23H2,(H,25,31)(H,27,29)(H3,24,26,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215424
PNG
(CHEMBL243538 | N-((1-aminoisoquinolin-6-yl)methyl)...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc2c(N)nccc2c1
Show InChI InChI=1S/C26H26ClN7O2/c27-23-22(17-3-1-4-18(28)12-17)34(26(36)25(33-23)32-19-5-2-6-19)14-21(35)31-13-15-7-8-20-16(11-15)9-10-30-24(20)29/h1,3-4,7-12,19H,2,5-6,13-14,28H2,(H2,29,30)(H,31,35)(H,32,33)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215434
PNG
(CHEMBL243539 | N-(2-(1H-imidazol-5-yl)ethyl)-2-(6-...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCCc1cnc[nH]1
Show InChI InChI=1S/C21H24ClN7O2/c22-19-18(13-3-1-4-14(23)9-13)29(21(31)20(28-19)27-15-5-2-6-15)11-17(30)25-8-7-16-10-24-12-26-16/h1,3-4,9-10,12,15H,2,5-8,11,23H2,(H,24,26)(H,25,30)(H,27,28)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215429
PNG
(CHEMBL243759 | N-(2-(2-amino-1H-imidazol-5-yl)ethy...)
Show SMILES Nc1ncc(CCNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)[nH]1
Show InChI InChI=1S/C21H25ClN8O2/c22-18-17(12-3-1-4-13(23)9-12)30(20(32)19(29-18)27-14-5-2-6-14)11-16(31)25-8-7-15-10-26-21(24)28-15/h1,3-4,9-10,14H,2,5-8,11,23H2,(H,25,31)(H,27,29)(H3,24,26,28)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215438
PNG
((E)-N-((5-amino-2,3-dihydrobenzo[f][1,4]thiazepin-...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc2c(SCCN=C2N)c1
Show InChI InChI=1S/C26H28ClN7O2S/c27-23-22(16-3-1-4-17(28)12-16)34(26(36)25(33-23)32-18-5-2-6-18)14-21(35)31-13-15-7-8-19-20(11-15)37-10-9-30-24(19)29/h1,3-4,7-8,11-12,18H,2,5-6,9-10,13-14,28H2,(H2,29,30)(H,31,35)(H,32,33)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215436
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H25ClF3N7O2/c26-21-20(13-3-1-4-16(30)9-13)36(24(38)23(35-21)34-17-5-2-6-17)12-19(37)33-11-15-8-7-14(22(31)32)10-18(15)25(27,28)29/h1,3-4,7-10,17H,2,5-6,11-12,30H2,(H3,31,32)(H,33,37)(H,34,35)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215431
PNG
(CHEMBL243319 | N-((3-aminobenzo[d]isothiazol-6-yl)...)
Show SMILES Nc1nsc2cc(CNC(=O)Cn3c(c(Cl)nc(NC4CCC4)c3=O)-c3cccc(N)c3)ccc12
Show InChI InChI=1S/C24H24ClN7O2S/c25-21-20(14-3-1-4-15(26)10-14)32(24(34)23(30-21)29-16-5-2-6-16)12-19(33)28-11-13-7-8-17-18(9-13)35-31-22(17)27/h1,3-4,7-10,16H,2,5-6,11-12,26H2,(H2,27,31)(H,28,33)(H,29,30)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215422
PNG
(CHEMBL243107 | N-(4-(4,5-dihydro-1H-imidazol-2-yl)...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc(cc1)C1=NCCN1
Show InChI InChI=1S/C26H28ClN7O2/c27-23-22(18-3-1-4-19(28)13-18)34(26(36)25(33-23)32-20-5-2-6-20)15-21(35)31-14-16-7-9-17(10-8-16)24-29-11-12-30-24/h1,3-4,7-10,13,20H,2,5-6,11-12,14-15,28H2,(H,29,30)(H,31,35)(H,32,33)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215427
PNG
(CHEMBL243318 | N-(4-(aminomethyl)benzyl)-2-(6-(3-a...)
Show SMILES NCc1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1
Show InChI InChI=1S/C24H27ClN6O2/c25-22-21(17-3-1-4-18(27)11-17)31(24(33)23(30-22)29-19-5-2-6-19)14-20(32)28-13-16-9-7-15(12-26)8-10-16/h1,3-4,7-11,19H,2,5-6,12-14,26-27H2,(H,28,32)(H,29,30)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215422
PNG
(CHEMBL243107 | N-(4-(4,5-dihydro-1H-imidazol-2-yl)...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc(cc1)C1=NCCN1
Show InChI InChI=1S/C26H28ClN7O2/c27-23-22(18-3-1-4-19(28)13-18)34(26(36)25(33-23)32-20-5-2-6-20)15-21(35)31-14-16-7-9-17(10-8-16)24-29-11-12-30-24/h1,3-4,7-10,13,20H,2,5-6,11-12,14-15,28H2,(H,29,30)(H,31,35)(H,32,33)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215430
PNG
(2-(6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccnc(N)n1
Show InChI InChI=1S/C21H23ClN8O2/c22-18-17(12-3-1-4-13(23)9-12)30(20(32)19(29-18)27-14-5-2-6-14)11-16(31)26-10-15-7-8-25-21(24)28-15/h1,3-4,7-9,14H,2,5-6,10-11,23H2,(H,26,31)(H,27,29)(H2,24,25,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215437
PNG
(CHEMBL243109 | N-((3-aminobenzo[d]isoxazol-6-yl)me...)
Show SMILES Nc1noc2cc(CNC(=O)Cn3c(c(Cl)nc(NC4CCC4)c3=O)-c3cccc(N)c3)ccc12
Show InChI InChI=1S/C24H24ClN7O3/c25-21-20(14-3-1-4-15(26)10-14)32(24(34)23(30-21)29-16-5-2-6-16)12-19(33)28-11-13-7-8-17-18(9-13)35-31-22(17)27/h1,3-4,7-10,16H,2,5-6,11-12,26H2,(H2,27,31)(H,28,33)(H,29,30)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215419
PNG
(CHEMBL243537 | N-((1-amino-4-oxo-3,4-dihydrophthal...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc2c(N)n[nH]c(=O)c2c1
Show InChI InChI=1S/C25H25ClN8O3/c26-21-20(14-3-1-4-15(27)10-14)34(25(37)23(31-21)30-16-5-2-6-16)12-19(35)29-11-13-7-8-17-18(9-13)24(36)33-32-22(17)28/h1,3-4,7-10,16H,2,5-6,11-12,27H2,(H2,28,32)(H,29,35)(H,30,31)(H,33,36)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215420
PNG
(4-({2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylami...)
Show SMILES NC(=N)c1ccc(cc1)S(=O)(=O)NCCn1c(c(Cl)nc(NC2CCC2)c1=O)-c1cccc(N)c1
Show InChI InChI=1S/C23H26ClN7O3S/c24-20-19(15-3-1-4-16(25)13-15)31(23(32)22(30-20)29-17-5-2-6-17)12-11-28-35(33,34)18-9-7-14(8-10-18)21(26)27/h1,3-4,7-10,13,17,28H,2,5-6,11-12,25H2,(H3,26,27)(H,29,30)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215432
PNG
(CHEMBL243317 | N-{2-[6-(3-aminophenyl)-5-chloro-3-...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCn1c(c(Cl)nc(NC2CCC2)c1=O)-c1cccc(N)c1
Show InChI InChI=1S/C24H26ClN7O2/c25-20-19(16-3-1-4-17(26)13-16)32(24(34)22(31-20)30-18-5-2-6-18)12-11-29-23(33)15-9-7-14(8-10-15)21(27)28/h1,3-4,7-10,13,18H,2,5-6,11-12,26H2,(H3,27,28)(H,29,33)(H,30,31)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215428
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1c(F)c(F)c(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)c(F)c1F
Show InChI InChI=1S/C24H22ClF4N7O2/c25-21-20(10-3-1-4-11(30)7-10)36(24(38)23(35-21)34-12-5-2-6-12)9-14(37)33-8-13-16(26)18(28)15(22(31)32)19(29)17(13)27/h1,3-4,7,12H,2,5-6,8-9,30H2,(H3,31,32)(H,33,37)(H,34,35)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215419
PNG
(CHEMBL243537 | N-((1-amino-4-oxo-3,4-dihydrophthal...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc2c(N)n[nH]c(=O)c2c1
Show InChI InChI=1S/C25H25ClN8O3/c26-21-20(14-3-1-4-15(27)10-14)34(25(37)23(31-21)30-16-5-2-6-16)12-19(35)29-11-13-7-8-17-18(9-13)24(36)33-32-22(17)28/h1,3-4,7-10,16H,2,5-6,11-12,27H2,(H2,28,32)(H,29,35)(H,30,31)(H,33,36)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215425
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1F
Show InChI InChI=1S/C24H25ClFN7O2/c25-21-20(14-3-1-4-15(27)10-14)33(24(35)23(32-21)31-16-5-2-6-16)12-19(34)30-11-13-7-8-17(22(28)29)18(26)9-13/h1,3-4,7-10,16H,2,5-6,11-12,27H2,(H3,28,29)(H,30,34)(H,31,32)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215424
PNG
(CHEMBL243538 | N-((1-aminoisoquinolin-6-yl)methyl)...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc2c(N)nccc2c1
Show InChI InChI=1S/C26H26ClN7O2/c27-23-22(17-3-1-4-18(28)12-17)34(26(36)25(33-23)32-19-5-2-6-19)14-21(35)31-13-15-7-8-20-16(11-15)9-10-30-24(20)29/h1,3-4,7-12,19H,2,5-6,13-14,28H2,(H2,29,30)(H,31,35)(H,32,33)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215427
PNG
(CHEMBL243318 | N-(4-(aminomethyl)benzyl)-2-(6-(3-a...)
Show SMILES NCc1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1
Show InChI InChI=1S/C24H27ClN6O2/c25-22-21(17-3-1-4-18(27)11-17)31(24(33)23(30-22)29-19-5-2-6-19)14-20(32)28-13-16-9-7-15(12-26)8-10-16/h1,3-4,7-11,19H,2,5-6,12-14,26-27H2,(H,28,32)(H,29,30)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215420
PNG
(4-({2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylami...)
Show SMILES NC(=N)c1ccc(cc1)S(=O)(=O)NCCn1c(c(Cl)nc(NC2CCC2)c1=O)-c1cccc(N)c1
Show InChI InChI=1S/C23H26ClN7O3S/c24-20-19(15-3-1-4-16(25)13-15)31(23(32)22(30-20)29-17-5-2-6-17)12-11-28-35(33,34)18-9-7-14(8-10-18)21(26)27/h1,3-4,7-10,13,17,28H,2,5-6,11-12,25H2,(H3,26,27)(H,29,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215426
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1c(O)c(F)c(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)c(F)c1F
Show InChI InChI=1S/C24H23ClF3N7O3/c25-21-19(10-3-1-4-11(29)7-10)35(24(38)23(34-21)33-12-5-2-6-12)9-14(36)32-8-13-16(26)18(28)15(22(30)31)20(37)17(13)27/h1,3-4,7,12,37H,2,5-6,8-9,29H2,(H3,30,31)(H,32,36)(H,33,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215426
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1c(O)c(F)c(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)c(F)c1F
Show InChI InChI=1S/C24H23ClF3N7O3/c25-21-19(10-3-1-4-11(29)7-10)35(24(38)23(34-21)33-12-5-2-6-12)9-14(36)32-8-13-16(26)18(28)15(22(30)31)20(37)17(13)27/h1,3-4,7,12,37H,2,5-6,8-9,29H2,(H3,30,31)(H,32,36)(H,33,34)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215421
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1O
Show InChI InChI=1S/C24H26ClN7O3/c25-21-20(14-3-1-4-15(26)10-14)32(24(35)23(31-21)30-16-5-2-6-16)12-19(34)29-11-13-7-8-17(22(27)28)18(33)9-13/h1,3-4,7-10,16,33H,2,5-6,11-12,26H2,(H3,27,28)(H,29,34)(H,30,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215428
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1c(F)c(F)c(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)c(F)c1F
Show InChI InChI=1S/C24H22ClF4N7O2/c25-21-20(10-3-1-4-11(30)7-10)36(24(38)23(35-21)34-12-5-2-6-12)9-14(37)33-8-13-16(26)18(28)15(22(31)32)19(29)17(13)27/h1,3-4,7,12H,2,5-6,8-9,30H2,(H3,31,32)(H,33,37)(H,34,35)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215435
PNG
(CHEMBL243108 | N-{[4-(N-aminocarbamimidoyl)phenyl]...)
Show SMILES NN=C(N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1
Show InChI InChI=1S/C24H27ClN8O2/c25-21-20(16-3-1-4-17(26)11-16)33(24(35)23(31-21)30-18-5-2-6-18)13-19(34)29-12-14-7-9-15(10-8-14)22(27)32-28/h1,3-4,7-11,18H,2,5-6,12-13,26,28H2,(H2,27,32)(H,29,34)(H,30,31)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215421
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1O
Show InChI InChI=1S/C24H26ClN7O3/c25-21-20(14-3-1-4-15(26)10-14)32(24(35)23(31-21)30-16-5-2-6-16)12-19(34)29-11-13-7-8-17(22(27)28)18(33)9-13/h1,3-4,7-10,16,33H,2,5-6,11-12,26H2,(H3,27,28)(H,29,34)(H,30,31)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50215435
PNG
(CHEMBL243108 | N-{[4-(N-aminocarbamimidoyl)phenyl]...)
Show SMILES NN=C(N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1
Show InChI InChI=1S/C24H27ClN8O2/c25-21-20(16-3-1-4-17(26)11-16)33(24(35)23(31-21)30-18-5-2-6-18)13-19(34)29-12-14-7-9-15(10-8-14)22(27)32-28/h1,3-4,7-11,18H,2,5-6,12-13,26,28H2,(H2,27,32)(H,29,34)(H,30,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%