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PubMed code 9873451

Compile data set for download or QSAR
Found 19 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 X


(Homo sapiens (Human))
BDBM50071050
PNG
(3-amidinobenzyl phenyl ether | CHEMBL294703)
Show SMILES NC(=N)c1cccc(COc2ccccc2)c1
Show InChI InChI=1S/C14H14N2O/c15-14(16)12-6-4-5-11(9-12)10-17-13-7-2-1-3-8-13/h1-9H,10H2,(H3,15,16)
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PubMed
6.80n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17277
PNG
((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Show SMILES NC(=N)c1ccc(\C=C2\CCCC\C(=C\c3ccc(cc3)C(N)=N)C2=O)cc1
Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13-,20-14-
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PubMed
13n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17278
PNG
(3-{[6-(3-carbamimidoylphenoxy)-3,5-difluoro-4-meth...)
Show SMILES Cc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2cccc(c2)C(N)=N)c1F
Show InChI InChI=1S/C20H17F2N5O2/c1-10-15(21)19(28-13-6-2-4-11(8-13)17(23)24)27-20(16(10)22)29-14-7-3-5-12(9-14)18(25)26/h2-9H,1H3,(H3,23,24)(H3,25,26)
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PubMed
13n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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PubMed
410n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071041
PNG
(3-[6-(4-Cyclohexyl-piperazin-1-yl)-3,5-difluoro-4-...)
Show SMILES Cc1c(F)c(Oc2cccc(c2)C(N)=N)nc(N2CCN(CC2)C2CCCCC2)c1F
Show InChI InChI=1S/C23H29F2N5O/c1-15-19(24)22(30-12-10-29(11-13-30)17-7-3-2-4-8-17)28-23(20(15)25)31-18-9-5-6-16(14-18)21(26)27/h5-6,9,14,17H,2-4,7-8,10-13H2,1H3,(H3,26,27)
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495n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071051
PNG
(3-(3',5'-Difluoro-4,4'-dimethyl-4-phenyl-3,4,5,6-t...)
Show SMILES Cc1c(F)c(Oc2cccc(c2)C(N)=N)nc(N2CCC(C)(CC2)c2ccccc2)c1F
Show InChI InChI=1S/C25H26F2N4O/c1-16-20(26)23(31-13-11-25(2,12-14-31)18-8-4-3-5-9-18)30-24(21(16)27)32-19-10-6-7-17(15-19)22(28)29/h3-10,15H,11-14H2,1-2H3,(H3,28,29)
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560n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071048
PNG
(3-[3,5-Difluoro-6-(4-furan-2-yl-piperazin-1-yl)-4-...)
Show SMILES Cc1c(F)c(Oc2cccc(c2)C(N)=N)nc(N2CCN(CC2)c2ccco2)c1F
Show InChI InChI=1S/C21H21F2N5O2/c1-13-17(22)20(28-9-7-27(8-10-28)16-6-3-11-29-16)26-21(18(13)23)30-15-5-2-4-14(12-15)19(24)25/h2-6,11-12H,7-10H2,1H3,(H3,24,25)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071054
PNG
(3-[6-(2-Dimethylamino-ethylamino)-3,5-difluoro-4-m...)
Show SMILES CN(C)CCNc1nc(Oc2cccc(c2)C(N)=N)c(F)c(C)c1F
Show InChI InChI=1S/C17H21F2N5O/c1-10-13(18)16(22-7-8-24(2)3)23-17(14(10)19)25-12-6-4-5-11(9-12)15(20)21/h4-6,9H,7-8H2,1-3H3,(H3,20,21)(H,22,23)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071039
PNG
(3-[6-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-3,5-...)
Show SMILES Cc1c(F)c(Oc2cccc(c2)C(N)=N)nc(N2CCN(CC2)c2ccc3OCOc3c2)c1F
Show InChI InChI=1S/C24H23F2N5O3/c1-14-20(25)23(29-24(21(14)26)34-17-4-2-3-15(11-17)22(27)28)31-9-7-30(8-10-31)16-5-6-18-19(12-16)33-13-32-18/h2-6,11-12H,7-10,13H2,1H3,(H3,27,28)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071043
PNG
(3-[3,5-Difluoro-4-methyl-6-(2-propoxy-ethylamino)-...)
Show SMILES CCCOCCNc1nc(Oc2cccc(c2)C(N)=N)c(F)c(C)c1F
Show InChI InChI=1S/C18H22F2N4O2/c1-3-8-25-9-7-23-17-14(19)11(2)15(20)18(24-17)26-13-6-4-5-12(10-13)16(21)22/h4-6,10H,3,7-9H2,1-2H3,(H3,21,22)(H,23,24)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071047
PNG
(3-[3,5-Difluoro-4-methyl-6-(4-methyl-piperazin-1-y...)
Show SMILES CN1CCN(CC1)c1nc(Oc2cccc(c2)C(N)=N)c(F)c(C)c1F
Show InChI InChI=1S/C18H21F2N5O/c1-11-14(19)17(25-8-6-24(2)7-9-25)23-18(15(11)20)26-13-5-3-4-12(10-13)16(21)22/h3-5,10H,6-9H2,1-2H3,(H3,21,22)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071045
PNG
(3-{3,5-Difluoro-4-methyl-6-[3-(2-oxo-pyrrolidin-1-...)
Show SMILES Cc1c(F)c(NCCCN2CCCC2=O)nc(Oc2cccc(c2)C(N)=N)c1F
Show InChI InChI=1S/C20H23F2N5O2/c1-12-16(21)19(25-8-4-10-27-9-3-7-15(27)28)26-20(17(12)22)29-14-6-2-5-13(11-14)18(23)24/h2,5-6,11H,3-4,7-10H2,1H3,(H3,23,24)(H,25,26)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071049
PNG
(3-(6-Cyclohexylamino-3,5-difluoro-4-methyl-pyridin...)
Show SMILES Cc1c(F)c(NC2CCCCC2)nc(Oc2cccc(c2)C(N)=N)c1F
Show InChI InChI=1S/C19H22F2N4O/c1-11-15(20)18(24-13-7-3-2-4-8-13)25-19(16(11)21)26-14-9-5-6-12(10-14)17(22)23/h5-6,9-10,13H,2-4,7-8H2,1H3,(H3,22,23)(H,24,25)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071053
PNG
(3-{3,5-Difluoro-4-methyl-6-[4-(2-morpholin-4-yl-2-...)
Show SMILES Cc1c(F)c(Oc2cccc(c2)C(N)=N)nc(N2CCN(CC(=O)N3CCOCC3)CC2)c1F
Show InChI InChI=1S/C23H28F2N6O3/c1-15-19(24)22(28-23(20(15)25)34-17-4-2-3-16(13-17)21(26)27)31-7-5-29(6-8-31)14-18(32)30-9-11-33-12-10-30/h2-4,13H,5-12,14H2,1H3,(H3,26,27)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071044
PNG
(3-{6-[4-(2,6-Dimethyl-phenyl)-piperazin-1-yl]-3,5-...)
Show SMILES Cc1cccc(C)c1N1CCN(CC1)c1nc(Oc2cccc(c2)C(N)=N)c(F)c(C)c1F
Show InChI InChI=1S/C25H27F2N5O/c1-15-6-4-7-16(2)22(15)31-10-12-32(13-11-31)24-20(26)17(3)21(27)25(30-24)33-19-9-5-8-18(14-19)23(28)29/h4-9,14H,10-13H2,1-3H3,(H3,28,29)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071042
PNG
(3-[3,5-Difluoro-6-((S)-2-hydroxymethyl-pyrrolidin-...)
Show SMILES Cc1c(F)c(Oc2cccc(c2)C(N)=N)nc(N2CCC[C@H]2CO)c1F
Show InChI InChI=1S/C18H20F2N4O2/c1-10-14(19)17(24-7-3-5-12(24)9-25)23-18(15(10)20)26-13-6-2-4-11(8-13)16(21)22/h2,4,6,8,12,25H,3,5,7,9H2,1H3,(H3,21,22)/t12-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071052
PNG
(3-{3,5-Difluoro-6-[1-(1-imino-ethyl)-pyrrolidin-3-...)
Show SMILES CC(=N)N1CCC(C1)Oc1nc(Oc2cccc(c2)C(N)=N)c(F)c(C)c1F
Show InChI InChI=1S/C19H21F2N5O2/c1-10-15(20)18(27-13-5-3-4-12(8-13)17(23)24)25-19(16(10)21)28-14-6-7-26(9-14)11(2)22/h3-5,8,14,22H,6-7,9H2,1-2H3,(H3,23,24)
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Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071046
PNG
(6'-(3-Carbamimidoyl-phenoxy)-3',5'-difluoro-4'-met...)
Show SMILES CCOC(=O)C1CCCN(C1)c1nc(Oc2cccc(c2)C(N)=N)c(F)c(C)c1F
Show InChI InChI=1S/C21H24F2N4O3/c1-3-29-21(28)14-7-5-9-27(11-14)19-16(22)12(2)17(23)20(26-19)30-15-8-4-6-13(10-15)18(24)25/h4,6,8,10,14H,3,5,7,9,11H2,1-2H3,(H3,24,25)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071040
PNG
(3-[3,5-Difluoro-4-methyl-6-(pyrrolidin-3-yloxy)-py...)
Show SMILES Cc1c(F)c(OC2CCNC2)nc(Oc2cccc(c2)C(N)=N)c1F
Show InChI InChI=1S/C17H18F2N4O2/c1-9-13(18)16(24-11-4-2-3-10(7-11)15(20)21)23-17(14(9)19)25-12-5-6-22-8-12/h2-4,7,12,22H,5-6,8H2,1H3,(H3,20,21)
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Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%