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PubMed code 16125385

Compile data set for download or QSAR
Found 55 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 III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172214
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES COc1cccc(CNC(=O)c2ccc(Oc3nc(Oc4cccc(c4)C(N)=N)c(F)c(NC(C)CCc4ccccc4)c3F)c(c2)C(O)=O)c1
Show InChI InChI=1S/C38H35F2N5O6/c1-22(14-15-23-8-4-3-5-9-23)44-33-31(39)36(50-28-13-7-11-25(19-28)34(41)42)45-37(32(33)40)51-30-17-16-26(20-29(30)38(47)48)35(46)43-21-24-10-6-12-27(18-24)49-2/h3-13,16-20,22H,14-15,21H2,1-2H3,(H3,41,42)(H,43,46)(H,44,45)(H,47,48)
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172213
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(C)CNC(=O)c1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C34H35F2N5O5/c1-19(2)18-39-31(42)23-14-15-26(25(17-23)34(43)44)46-33-28(36)29(40-20(3)12-13-21-8-5-4-6-9-21)27(35)32(41-33)45-24-11-7-10-22(16-24)30(37)38/h4-11,14-17,19-20H,12-13,18H2,1-3H3,(H3,37,38)(H,39,42)(H,40,41)(H,43,44)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172227
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)N(C)C)c1F
Show InChI InChI=1S/C31H31F2N5O4/c1-18(12-13-19-8-5-4-6-9-19)36-27-25(32)29(41-22-11-7-10-20(16-22)28(34)35)37-30(26(27)33)42-24-15-14-21(38(2)3)17-23(24)31(39)40/h4-11,14-18H,12-13H2,1-3H3,(H3,34,35)(H,36,37)(H,39,40)
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172217
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NC(C)C(C)(C)C)c1F
Show InChI InChI=1S/C36H39F2N5O5/c1-20(14-15-22-10-7-6-8-11-22)41-30-28(37)33(47-25-13-9-12-23(18-25)31(39)40)43-34(29(30)38)48-27-17-16-24(19-26(27)35(45)46)32(44)42-21(2)36(3,4)5/h6-13,16-21H,14-15H2,1-5H3,(H3,39,40)(H,41,43)(H,42,44)(H,45,46)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172212
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(C)c1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C32H32F2N4O4/c1-18(2)21-14-15-25(24(17-21)32(39)40)42-31-27(34)28(37-19(3)12-13-20-8-5-4-6-9-20)26(33)30(38-31)41-23-11-7-10-22(16-23)29(35)36/h4-11,14-19H,12-13H2,1-3H3,(H3,35,36)(H,37,38)(H,39,40)
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172227
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)N(C)C)c1F
Show InChI InChI=1S/C31H31F2N5O4/c1-18(12-13-19-8-5-4-6-9-19)36-27-25(32)29(41-22-11-7-10-20(16-22)28(34)35)37-30(26(27)33)42-24-15-14-21(38(2)3)17-23(24)31(39)40/h4-11,14-18H,12-13H2,1-3H3,(H3,34,35)(H,36,37)(H,39,40)
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172225
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CCN(CC)c1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C33H35F2N5O4/c1-4-40(5-2)23-16-17-26(25(19-23)33(41)42)44-32-28(35)29(38-20(3)14-15-21-10-7-6-8-11-21)27(34)31(39-32)43-24-13-9-12-22(18-24)30(36)37/h6-13,16-20H,4-5,14-15H2,1-3H3,(H3,36,37)(H,38,39)(H,41,42)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172218
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NC(C)(C)CO)c1F
Show InChI InChI=1S/C34H35F2N5O6/c1-19(12-13-20-8-5-4-6-9-20)39-28-26(35)31(46-23-11-7-10-21(16-23)29(37)38)40-32(27(28)36)47-25-15-14-22(17-24(25)33(44)45)30(43)41-34(2,3)18-42/h4-11,14-17,19,42H,12-13,18H2,1-3H3,(H3,37,38)(H,39,40)(H,41,43)(H,44,45)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172220
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(C)Oc1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C32H32F2N4O5/c1-18(2)41-23-14-15-25(24(17-23)32(39)40)43-31-27(34)28(37-19(3)12-13-20-8-5-4-6-9-20)26(33)30(38-31)42-22-11-7-10-21(16-22)29(35)36/h4-11,14-19H,12-13H2,1-3H3,(H3,35,36)(H,37,38)(H,39,40)
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172232
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CNc1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C30H29F2N5O4/c1-17(11-12-18-7-4-3-5-8-18)36-26-24(31)28(40-21-10-6-9-19(15-21)27(33)34)37-29(25(26)32)41-23-14-13-20(35-2)16-22(23)30(38)39/h3-10,13-17,35H,11-12H2,1-2H3,(H3,33,34)(H,36,37)(H,38,39)
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172224
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CCCOc1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C32H32F2N4O5/c1-3-16-41-22-14-15-25(24(18-22)32(39)40)43-31-27(34)28(37-19(2)12-13-20-8-5-4-6-9-20)26(33)30(38-31)42-23-11-7-10-21(17-23)29(35)36/h4-11,14-15,17-19H,3,12-13,16H2,1-2H3,(H3,35,36)(H,37,38)(H,39,40)
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n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172223
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(C)cc2C(O)=O)c1F
Show InChI InChI=1S/C30H28F2N4O4/c1-17-11-14-23(22(15-17)30(37)38)40-29-25(32)26(35-18(2)12-13-19-7-4-3-5-8-19)24(31)28(36-29)39-21-10-6-9-20(16-21)27(33)34/h3-11,14-16,18H,12-13H2,1-2H3,(H3,33,34)(H,35,36)(H,37,38)
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172211
PNG
(5-tert-Butyl-2-[6-(3-carbamimidoyl-phenoxy)-3,5-di...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(C)(C)C)c1F
Show InChI InChI=1S/C33H34F2N4O4/c1-19(13-14-20-9-6-5-7-10-20)38-28-26(34)30(42-23-12-8-11-21(17-23)29(36)37)39-31(27(28)35)43-25-16-15-22(33(2,3)4)18-24(25)32(40)41/h5-12,15-19H,13-14H2,1-4H3,(H3,36,37)(H,38,39)(H,40,41)
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n/an/a 21n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172229
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CCC(CO)NC(=O)c1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C34H35F2N5O6/c1-3-23(18-42)40-31(43)22-14-15-26(25(17-22)34(44)45)47-33-28(36)29(39-19(2)12-13-20-8-5-4-6-9-20)27(35)32(41-33)46-24-11-7-10-21(16-24)30(37)38/h4-11,14-17,19,23,42H,3,12-13,18H2,1-2H3,(H3,37,38)(H,39,41)(H,40,43)(H,44,45)
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n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172209
PNG
(4-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)-c2ccccc2)c1F
Show InChI InChI=1S/C35H30F2N4O4/c1-21(15-16-22-9-4-2-5-10-22)40-31-29(36)33(44-26-14-8-13-25(19-26)32(38)39)41-34(30(31)37)45-28-18-17-24(20-27(28)35(42)43)23-11-6-3-7-12-23/h2-14,17-21H,15-16H2,1H3,(H3,38,39)(H,40,41)(H,42,43)
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n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172208
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CCOc1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C31H30F2N4O5/c1-3-40-21-14-15-24(23(17-21)31(38)39)42-30-26(33)27(36-18(2)12-13-19-8-5-4-6-9-19)25(32)29(37-30)41-22-11-7-10-20(16-22)28(34)35/h4-11,14-18H,3,12-13H2,1-2H3,(H3,34,35)(H,36,37)(H,38,39)
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n/an/a 29n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172235
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CCCCN(CCCC)c1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C37H43F2N5O4/c1-4-6-20-44(21-7-5-2)27-18-19-30(29(23-27)37(45)46)48-36-32(39)33(42-24(3)16-17-25-12-9-8-10-13-25)31(38)35(43-36)47-28-15-11-14-26(22-28)34(40)41/h8-15,18-19,22-24H,4-7,16-17,20-21H2,1-3H3,(H3,40,41)(H,42,43)(H,45,46)
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n/an/a 36n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172215
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NCc2cccc(O)c2)c1F
Show InChI InChI=1S/C37H33F2N5O6/c1-21(13-14-22-7-3-2-4-8-22)43-32-30(38)35(49-27-12-6-10-24(18-27)33(40)41)44-36(31(32)39)50-29-16-15-25(19-28(29)37(47)48)34(46)42-20-23-9-5-11-26(45)17-23/h2-12,15-19,21,45H,13-14,20H2,1H3,(H3,40,41)(H,42,46)(H,43,44)(H,47,48)
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n/an/a 39n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172231
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES COc1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C30H28F2N4O5/c1-17(11-12-18-7-4-3-5-8-18)35-26-24(31)28(40-21-10-6-9-19(15-21)27(33)34)36-29(25(26)32)41-23-14-13-20(39-2)16-22(23)30(37)38/h3-10,13-17H,11-12H2,1-2H3,(H3,33,34)(H,35,36)(H,37,38)
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n/an/a 39n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172233
PNG
(2-{6-[3-amino(imino)methylphenoxy]-3,5-difluoro-4-...)
Show SMILES C[C@H](CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=[NH2+])nc(Oc2ccccc2C([O-])=O)c1F
Show InChI InChI=1S/C29H26F2N4O4/c1-17(14-15-18-8-3-2-4-9-18)34-25-23(30)27(38-20-11-7-10-19(16-20)26(32)33)35-28(24(25)31)39-22-13-6-5-12-21(22)29(36)37/h2-13,16-17H,14-15H2,1H3,(H3,32,33)(H,34,35)(H,36,37)/t17-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172210
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NC(CO)CO)c1F
Show InChI InChI=1S/C33H33F2N5O7/c1-18(10-11-19-6-3-2-4-7-19)38-28-26(34)31(46-23-9-5-8-20(14-23)29(36)37)40-32(27(28)35)47-25-13-12-21(15-24(25)33(44)45)30(43)39-22(16-41)17-42/h2-9,12-15,18,22,41-42H,10-11,16-17H2,1H3,(H3,36,37)(H,38,40)(H,39,43)(H,44,45)
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n/an/a 46n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172221
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NCCCCO)c1F
Show InChI InChI=1S/C34H35F2N5O6/c1-20(12-13-21-8-3-2-4-9-21)40-29-27(35)32(46-24-11-7-10-22(18-24)30(37)38)41-33(28(29)36)47-26-15-14-23(19-25(26)34(44)45)31(43)39-16-5-6-17-42/h2-4,7-11,14-15,18-20,42H,5-6,12-13,16-17H2,1H3,(H3,37,38)(H,39,43)(H,40,41)(H,44,45)
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n/an/a 67n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172237
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NCCCO)c1F
Show InChI InChI=1S/C33H33F2N5O6/c1-19(11-12-20-7-3-2-4-8-20)39-28-26(34)31(45-23-10-5-9-21(17-23)29(36)37)40-32(27(28)35)46-25-14-13-22(18-24(25)33(43)44)30(42)38-15-6-16-41/h2-5,7-10,13-14,17-19,41H,6,11-12,15-16H2,1H3,(H3,36,37)(H,38,42)(H,39,40)(H,43,44)
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n/an/a 71n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172226
PNG
(5-Amino-2-[6-(3-carbamimidoyl-phenoxy)-3,5-difluor...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(N)cc2C(O)=O)c1F
Show InChI InChI=1S/C29H27F2N5O4/c1-16(10-11-17-6-3-2-4-7-17)35-25-23(30)27(39-20-9-5-8-18(14-20)26(33)34)36-28(24(25)31)40-22-13-12-19(32)15-21(22)29(37)38/h2-9,12-16H,10-11,32H2,1H3,(H3,33,34)(H,35,36)(H,37,38)
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n/an/a 79n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172230
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccccc2C(O)=O)c1F
Show InChI InChI=1S/C29H26F2N4O4/c1-17(14-15-18-8-3-2-4-9-18)34-25-23(30)27(38-20-11-7-10-19(16-20)26(32)33)35-28(24(25)31)39-22-13-6-5-12-21(22)29(36)37/h2-13,16-17H,14-15H2,1H3,(H3,32,33)(H,34,35)(H,36,37)
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n/an/a 86n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172216
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NCc2ccc(O)c(O)c2)c1F
Show InChI InChI=1S/C37H33F2N5O7/c1-20(10-11-21-6-3-2-4-7-21)43-32-30(38)35(50-25-9-5-8-23(17-25)33(40)41)44-36(31(32)39)51-29-15-13-24(18-26(29)37(48)49)34(47)42-19-22-12-14-27(45)28(46)16-22/h2-9,12-18,20,45-46H,10-11,19H2,1H3,(H3,40,41)(H,42,47)(H,43,44)(H,48,49)
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n/an/a 140n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172234
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-meth...)
Show SMILES CN(C)c1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(C)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C22H20F2N4O4/c1-11-17(23)20(31-14-6-4-5-12(9-14)19(25)26)27-21(18(11)24)32-16-8-7-13(28(2)3)10-15(16)22(29)30/h4-10H,1-3H3,(H3,25,26)(H,29,30)
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n/an/a 190n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172222
PNG
(4-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(O)=O)c1F
Show InChI InChI=1S/C30H26F2N4O6/c1-16(10-11-17-6-3-2-4-7-17)35-25-23(31)27(41-20-9-5-8-18(14-20)26(33)34)36-28(24(25)32)42-22-13-12-19(29(37)38)15-21(22)30(39)40/h2-9,12-16H,10-11H2,1H3,(H3,33,34)(H,35,36)(H,37,38)(H,39,40)
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n/an/a 200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172228
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(O)cc2C(O)=O)c1F
Show InChI InChI=1S/C29H26F2N4O5/c1-16(10-11-17-6-3-2-4-7-17)34-25-23(30)27(39-20-9-5-8-18(14-20)26(32)33)35-28(24(25)31)40-22-13-12-19(36)15-21(22)29(37)38/h2-9,12-16,36H,10-11H2,1H3,(H3,32,33)(H,34,35)(H,37,38)
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n/an/a 560n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172236
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)N[C@H](O)C(O)=O)c1F
Show InChI InChI=1S/C32H29F2N5O8/c1-16(10-11-17-6-3-2-4-7-17)37-25-23(33)29(46-20-9-5-8-18(14-20)26(35)36)39-30(24(25)34)47-22-13-12-19(15-21(22)31(42)43)27(40)38-28(41)32(44)45/h2-9,12-16,28,41H,10-11H2,1H3,(H3,35,36)(H,37,39)(H,38,40)(H,42,43)(H,44,45)/t16?,28-/m1/s1
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n/an/a 730n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50172219
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-meth...)
Show SMILES Cc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccccc2C(O)=O)c1F
Show InChI InChI=1S/C20H15F2N3O4/c1-10-15(21)18(28-12-6-4-5-11(9-12)17(23)24)25-19(16(10)22)29-14-8-3-2-7-13(14)20(26)27/h2-9H,1H3,(H3,23,24)(H,26,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172211
PNG
(5-tert-Butyl-2-[6-(3-carbamimidoyl-phenoxy)-3,5-di...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(C)(C)C)c1F
Show InChI InChI=1S/C33H34F2N4O4/c1-19(13-14-20-9-6-5-7-10-20)38-28-26(34)30(42-23-12-8-11-21(17-23)29(36)37)39-31(27(28)35)43-25-16-15-22(33(2,3)4)18-24(25)32(40)41/h5-12,15-19H,13-14H2,1-4H3,(H3,36,37)(H,38,39)(H,40,41)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172215
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NCc2cccc(O)c2)c1F
Show InChI InChI=1S/C37H33F2N5O6/c1-21(13-14-22-7-3-2-4-8-22)43-32-30(38)35(49-27-12-6-10-24(18-27)33(40)41)44-36(31(32)39)50-29-16-15-25(19-28(29)37(47)48)34(46)42-20-23-9-5-11-26(45)17-23/h2-12,15-19,21,45H,13-14,20H2,1H3,(H3,40,41)(H,42,46)(H,43,44)(H,47,48)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172217
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NC(C)C(C)(C)C)c1F
Show InChI InChI=1S/C36H39F2N5O5/c1-20(14-15-22-10-7-6-8-11-22)41-30-28(37)33(47-25-13-9-12-23(18-25)31(39)40)43-34(29(30)38)48-27-17-16-24(19-26(27)35(45)46)32(44)42-21(2)36(3,4)5/h6-13,16-21H,14-15H2,1-5H3,(H3,39,40)(H,41,43)(H,42,44)(H,45,46)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172227
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)N(C)C)c1F
Show InChI InChI=1S/C31H31F2N5O4/c1-18(12-13-19-8-5-4-6-9-19)36-27-25(32)29(41-22-11-7-10-20(16-22)28(34)35)37-30(26(27)33)42-24-15-14-21(38(2)3)17-23(24)31(39)40/h4-11,14-18H,12-13H2,1-3H3,(H3,34,35)(H,36,37)(H,39,40)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172212
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(C)c1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C32H32F2N4O4/c1-18(2)21-14-15-25(24(17-21)32(39)40)42-31-27(34)28(37-19(3)12-13-20-8-5-4-6-9-20)26(33)30(38-31)41-23-11-7-10-22(16-23)29(35)36/h4-11,14-19H,12-13H2,1-3H3,(H3,35,36)(H,37,38)(H,39,40)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172229
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CCC(CO)NC(=O)c1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C34H35F2N5O6/c1-3-23(18-42)40-31(43)22-14-15-26(25(17-22)34(44)45)47-33-28(36)29(39-19(2)12-13-20-8-5-4-6-9-20)27(35)32(41-33)46-24-11-7-10-21(16-24)30(37)38/h4-11,14-17,19,23,42H,3,12-13,18H2,1-2H3,(H3,37,38)(H,39,41)(H,40,43)(H,44,45)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172227
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)N(C)C)c1F
Show InChI InChI=1S/C31H31F2N5O4/c1-18(12-13-19-8-5-4-6-9-19)36-27-25(32)29(41-22-11-7-10-20(16-22)28(34)35)37-30(26(27)33)42-24-15-14-21(38(2)3)17-23(24)31(39)40/h4-11,14-18H,12-13H2,1-3H3,(H3,34,35)(H,36,37)(H,39,40)
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n/an/a 6.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172232
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CNc1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C30H29F2N5O4/c1-17(11-12-18-7-4-3-5-8-18)36-26-24(31)28(40-21-10-6-9-19(15-21)27(33)34)37-29(25(26)32)41-23-14-13-20(35-2)16-22(23)30(38)39/h3-10,13-17,35H,11-12H2,1-2H3,(H3,33,34)(H,36,37)(H,38,39)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172214
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES COc1cccc(CNC(=O)c2ccc(Oc3nc(Oc4cccc(c4)C(N)=N)c(F)c(NC(C)CCc4ccccc4)c3F)c(c2)C(O)=O)c1
Show InChI InChI=1S/C38H35F2N5O6/c1-22(14-15-23-8-4-3-5-9-23)44-33-31(39)36(50-28-13-7-11-25(19-28)34(41)42)45-37(32(33)40)51-30-17-16-26(20-29(30)38(47)48)35(46)43-21-24-10-6-12-27(18-24)49-2/h3-13,16-20,22H,14-15,21H2,1-2H3,(H3,41,42)(H,43,46)(H,44,45)(H,47,48)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172213
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(C)CNC(=O)c1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C34H35F2N5O5/c1-19(2)18-39-31(42)23-14-15-26(25(17-23)34(43)44)46-33-28(36)29(40-20(3)12-13-21-8-5-4-6-9-21)27(35)32(41-33)45-24-11-7-10-22(16-24)30(37)38/h4-11,14-17,19-20H,12-13,18H2,1-3H3,(H3,37,38)(H,39,42)(H,40,41)(H,43,44)
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n/an/a 9.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172225
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CCN(CC)c1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C33H35F2N5O4/c1-4-40(5-2)23-16-17-26(25(19-23)33(41)42)44-32-28(35)29(38-20(3)14-15-21-10-7-6-8-11-21)27(34)31(39-32)43-24-13-9-12-22(18-24)30(36)37/h6-13,16-20H,4-5,14-15H2,1-3H3,(H3,36,37)(H,38,39)(H,41,42)
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n/an/a 9.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172231
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES COc1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C30H28F2N4O5/c1-17(11-12-18-7-4-3-5-8-18)35-26-24(31)28(40-21-10-6-9-19(15-21)27(33)34)36-29(25(26)32)41-23-14-13-20(39-2)16-22(23)30(37)38/h3-10,13-17H,11-12H2,1-2H3,(H3,33,34)(H,35,36)(H,37,38)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172228
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(O)cc2C(O)=O)c1F
Show InChI InChI=1S/C29H26F2N4O5/c1-16(10-11-17-6-3-2-4-7-17)34-25-23(30)27(39-20-9-5-8-18(14-20)26(32)33)35-28(24(25)31)40-22-13-12-19(36)15-21(22)29(37)38/h2-9,12-16,36H,10-11H2,1H3,(H3,32,33)(H,34,35)(H,37,38)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172226
PNG
(5-Amino-2-[6-(3-carbamimidoyl-phenoxy)-3,5-difluor...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(N)cc2C(O)=O)c1F
Show InChI InChI=1S/C29H27F2N5O4/c1-16(10-11-17-6-3-2-4-7-17)35-25-23(30)27(39-20-9-5-8-18(14-20)26(33)34)36-28(24(25)31)40-22-13-12-19(32)15-21(22)29(37)38/h2-9,12-16H,10-11,32H2,1H3,(H3,33,34)(H,35,36)(H,37,38)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172220
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(C)Oc1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C32H32F2N4O5/c1-18(2)41-23-14-15-25(24(17-23)32(39)40)43-31-27(34)28(37-19(3)12-13-20-8-5-4-6-9-20)26(33)30(38-31)42-22-11-7-10-21(16-22)29(35)36/h4-11,14-19H,12-13H2,1-3H3,(H3,35,36)(H,37,38)(H,39,40)
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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
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172210
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NC(CO)CO)c1F
Show InChI InChI=1S/C33H33F2N5O7/c1-18(10-11-19-6-3-2-4-7-19)38-28-26(34)31(46-23-9-5-8-20(14-23)29(36)37)40-32(27(28)35)47-25-13-12-21(15-24(25)33(44)45)30(43)39-22(16-41)17-42/h2-9,12-15,18,22,41-42H,10-11,16-17H2,1H3,(H3,36,37)(H,38,40)(H,39,43)(H,44,45)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172209
PNG
(4-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)-c2ccccc2)c1F
Show InChI InChI=1S/C35H30F2N4O4/c1-21(15-16-22-9-4-2-5-10-22)40-31-29(36)33(44-26-14-8-13-25(19-26)32(38)39)41-34(30(31)37)45-28-18-17-24(20-27(28)35(42)43)23-11-6-3-7-12-23/h2-14,17-21H,15-16H2,1H3,(H3,38,39)(H,40,41)(H,42,43)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172208
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CCOc1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C31H30F2N4O5/c1-3-40-21-14-15-24(23(17-21)31(38)39)42-30-26(33)27(36-18(2)12-13-19-8-5-4-6-9-19)25(32)29(37-30)41-22-11-7-10-20(16-22)28(34)35/h4-11,14-18H,3,12-13H2,1-2H3,(H3,34,35)(H,36,37)(H,38,39)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172221
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NCCCCO)c1F
Show InChI InChI=1S/C34H35F2N5O6/c1-20(12-13-21-8-3-2-4-9-21)40-29-27(35)32(46-24-11-7-10-22(18-24)30(37)38)41-33(28(29)36)47-26-15-14-23(19-25(26)34(44)45)31(43)39-16-5-6-17-42/h2-4,7-11,14-15,18-20,42H,5-6,12-13,16-17H2,1H3,(H3,37,38)(H,39,43)(H,40,41)(H,44,45)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172224
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CCCOc1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O
Show InChI InChI=1S/C32H32F2N4O5/c1-3-16-41-22-14-15-25(24(18-22)32(39)40)43-31-27(34)28(37-19(2)12-13-20-8-5-4-6-9-20)26(33)30(38-31)42-23-11-7-10-21(17-23)29(35)36/h4-11,14-15,17-19H,3,12-13,16H2,1-2H3,(H3,35,36)(H,37,38)(H,39,40)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172223
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(C)cc2C(O)=O)c1F
Show InChI InChI=1S/C30H28F2N4O4/c1-17-11-14-23(22(15-17)30(37)38)40-29-25(32)26(35-18(2)12-13-19-7-4-3-5-8-19)24(31)28(36-29)39-21-10-6-9-20(16-21)27(33)34/h3-11,14-16,18H,12-13H2,1-2H3,(H3,33,34)(H,35,36)(H,37,38)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172233
PNG
(2-{6-[3-amino(imino)methylphenoxy]-3,5-difluoro-4-...)
Show SMILES C[C@H](CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=[NH2+])nc(Oc2ccccc2C([O-])=O)c1F
Show InChI InChI=1S/C29H26F2N4O4/c1-17(14-15-18-8-3-2-4-9-18)34-25-23(30)27(38-20-11-7-10-19(16-20)26(32)33)35-28(24(25)31)39-22-13-6-5-12-21(22)29(36)37/h2-13,16-17H,14-15H2,1H3,(H3,32,33)(H,34,35)(H,36,37)/t17-/m1/s1
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n/an/a 5.10E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172230
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccccc2C(O)=O)c1F
Show InChI InChI=1S/C29H26F2N4O4/c1-17(14-15-18-8-3-2-4-9-18)34-25-23(30)27(38-20-11-7-10-19(16-20)26(32)33)35-28(24(25)31)39-22-13-6-5-12-21(22)29(36)37/h2-13,16-17H,14-15H2,1H3,(H3,32,33)(H,34,35)(H,36,37)
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n/an/a 5.50E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50172218
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NC(C)(C)CO)c1F
Show InChI InChI=1S/C34H35F2N5O6/c1-19(12-13-20-8-5-4-6-9-20)39-28-26(35)31(46-23-11-7-10-21(16-23)29(37)38)40-32(27(28)36)47-25-15-14-22(17-24(25)33(44)45)30(43)41-34(2,3)18-42/h4-11,14-17,19,42H,12-13,18H2,1-3H3,(H3,37,38)(H,39,40)(H,41,43)(H,44,45)
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n/an/a 5.90E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%