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31 similar compounds to monomer 50172230

Compile data set for download or QSAR
Wt: 631.6
BDBM50172213
Wt: 695.7
BDBM50172214
Wt: 681.6
BDBM50172215
Wt: 697.6
BDBM50172216
Wt: 659.7
BDBM50172217
Wt: 647.6
BDBM50172218
Wt: 590.6
BDBM50172220
Wt: 647.6
BDBM50172221
Wt: 576.5
BDBM50172222
Wt: 546.5
BDBM50172223
Wt: 590.6
BDBM50172224
Wt: 603.6
BDBM50172225
Wt: 547.5
BDBM50172226
Wt: 575.6
BDBM50172227
Wt: 548.5
BDBM50172228
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50172213,50172214,50172215,50172216,50172217,50172218,50172220,50172221,50172222,50172223,50172224,50172225,50172226,50172227,50172228   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(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 Inc

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


(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 Inc

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 III/Factor VIIa (fVIIa)


(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 Inc

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 (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 Inc

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


(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 Inc

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


(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 Inc

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 III/Factor VIIa (fVIIa)


(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 Inc

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 (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 Inc

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 (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 Inc

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 (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 Inc

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 (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 Inc

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 (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 Inc

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


(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 Inc

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 III/Factor VIIa (fVIIa)


(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 Inc

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 (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 Inc

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


(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 Inc

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


(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 Inc

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 III/Factor VIIa (fVIIa)


(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 Inc

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 (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 Inc

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


(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 Inc

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 III/Factor VIIa (fVIIa)


(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 Inc

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


(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 Inc

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


(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 Inc

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


(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 Inc

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


(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 Inc

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 III/Factor VIIa (fVIIa)


(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 Inc

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


(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 Inc

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 III/Factor VIIa (fVIIa)


(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 Inc

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 (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 Inc

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


(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 Inc

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