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PubMed code 25937013

Compile data set for download or QSAR
Found 40 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 IX


(Homo sapiens (Human))
BDBM50083254
PNG
(CHEMBL3423058)
Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H23ClN6O/c1-16-10-23-24(11-17(16)2)32-25(31-23)21(18-6-4-3-5-7-18)13-28-26(34)20-9-8-19(12-22(20)27)33-14-29-30-15-33/h3-12,14-15,21H,13H2,1-2H3,(H,28,34)(H,31,32)/t21-/m0/s1
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16n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083078
PNG
(CHEMBL3423050)
Show SMILES Cc1ccc(O)c2c3CC(C)(CCc3nn12)NC(=O)c1ccc(cc1Cl)-n1cnnc1
Show InChI InChI=1S/C22H21ClN6O2/c1-13-3-6-19(30)20-16-10-22(2,8-7-18(16)27-29(13)20)26-21(31)15-5-4-14(9-17(15)23)28-11-24-25-12-28/h3-6,9,11-12,30H,7-8,10H2,1-2H3,(H,26,31)
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90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083077
PNG
(CHEMBL3421647)
Show SMILES Cc1ccc(O)c2c3CC(C)(CCc3nn12)NC(=O)c1ccc(cc1Cl)-n1cncn1
Show InChI InChI=1S/C22H21ClN6O2/c1-13-3-6-19(30)20-16-10-22(2,8-7-18(16)27-29(13)20)26-21(31)15-5-4-14(9-17(15)23)28-12-24-11-25-28/h3-6,9,11-12,30H,7-8,10H2,1-2H3,(H,26,31)
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156n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083238
PNG
(CHEMBL3423040)
Show SMILES Cc1cc2nc(CCNC(=O)c3ccc(cc3Cl)-n3cnnc3)[nH]c2cc1C
Show InChI InChI=1S/C20H19ClN6O/c1-12-7-17-18(8-13(12)2)26-19(25-17)5-6-22-20(28)15-4-3-14(9-16(15)21)27-10-23-24-11-27/h3-4,7-11H,5-6H2,1-2H3,(H,22,28)(H,25,26)
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260n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083256
PNG
(CHEMBL3423057)
Show SMILES CC(CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C21H21ClN6O/c1-12-6-18-19(7-13(12)2)27-20(26-18)14(3)9-23-21(29)16-5-4-15(8-17(16)22)28-10-24-25-11-28/h4-8,10-11,14H,9H2,1-3H3,(H,23,29)(H,26,27)
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340n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50083254
PNG
(CHEMBL3423058)
Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H23ClN6O/c1-16-10-23-24(11-17(16)2)32-25(31-23)21(18-6-4-3-5-7-18)13-28-26(34)20-9-8-19(12-22(20)27)33-14-29-30-15-33/h3-12,14-15,21H,13H2,1-2H3,(H,28,34)(H,31,32)/t21-/m0/s1
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390n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using n-Acetyl-KPR-AFC as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083233
PNG
(CHEMBL3423045)
Show SMILES Cc1ccc(O)c2c3CC(C)(CCc3nn12)NC(=O)c1ccc(cc1)-n1ccnn1
Show InChI InChI=1S/C22H22N6O2/c1-14-3-8-19(29)20-17-13-22(2,10-9-18(17)25-28(14)20)24-21(30)15-4-6-16(7-5-15)27-12-11-23-26-27/h3-8,11-12,29H,9-10,13H2,1-2H3,(H,24,30)
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462n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083255
PNG
(CHEMBL3423059)
Show SMILES Cc1cc2nc([nH]c2cc1C)[C@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H23ClN6O/c1-16-10-23-24(11-17(16)2)32-25(31-23)21(18-6-4-3-5-7-18)13-28-26(34)20-9-8-19(12-22(20)27)33-14-29-30-15-33/h3-12,14-15,21H,13H2,1-2H3,(H,28,34)(H,31,32)/t21-/m1/s1
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520n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083260
PNG
(CHEMBL3423053)
Show SMILES Cc1ccc(O)c2c3CC(C)(CCc3nn12)NC(=O)c1ccc(cc1Cl)-n1ccnc1
Show InChI InChI=1S/C23H22ClN5O2/c1-14-3-6-20(30)21-17-12-23(2,8-7-19(17)27-29(14)21)26-22(31)16-5-4-15(11-18(16)24)28-10-9-25-13-28/h3-6,9-11,13,30H,7-8,12H2,1-2H3,(H,26,31)
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595n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083262
PNG
(CHEMBL3423051)
Show SMILES Cc1ccc(O)c2c3CC(C)(CCc3nn12)NC(=O)c1ccc(cc1Cl)-n1ccnn1
Show InChI InChI=1S/C22H21ClN6O2/c1-13-3-6-19(30)20-16-12-22(2,8-7-18(16)26-29(13)20)25-21(31)15-5-4-14(11-17(15)23)28-10-9-24-27-28/h3-6,9-11,30H,7-8,12H2,1-2H3,(H,25,31)
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937n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083228
PNG
(CHEMBL3423046)
Show SMILES Cc1ccc(O)c2c3CC(C)(CCc3nn12)NC(=O)c1ccc(cc1F)C#N
Show InChI InChI=1S/C21H19FN4O2/c1-12-3-6-18(27)19-15-10-21(2,8-7-17(15)25-26(12)19)24-20(28)14-5-4-13(11-23)9-16(14)22/h3-6,9,27H,7-8,10H2,1-2H3,(H,24,28)
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2.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083241
PNG
(CHEMBL3423037)
Show SMILES Cc1cc2nc(CCNC(=O)c3ccc(cc3F)-n3cnnc3)[nH]c2cc1C
Show InChI InChI=1S/C20H19FN6O/c1-12-7-17-18(8-13(12)2)26-19(25-17)5-6-22-20(28)15-4-3-14(9-16(15)21)27-10-23-24-11-27/h3-4,7-11H,5-6H2,1-2H3,(H,22,28)(H,25,26)
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2.04E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083237
PNG
(CHEMBL3423041)
Show SMILES Cc1cc2nc(CCNC(=O)c3ccc(cc3Cl)-n3cncn3)[nH]c2cc1C
Show InChI InChI=1S/C20H19ClN6O/c1-12-7-17-18(8-13(12)2)26-19(25-17)5-6-23-20(28)15-4-3-14(9-16(15)21)27-11-22-10-24-27/h3-4,7-11H,5-6H2,1-2H3,(H,23,28)(H,25,26)
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2.12E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083259
PNG
(CHEMBL3423054)
Show SMILES Cc1ccc(O)c2c3CC(C)(CCc3nn12)NC(=O)c1ccc(cc1Cl)-n1cccn1
Show InChI InChI=1S/C23H22ClN5O2/c1-14-4-7-20(30)21-17-13-23(2,9-8-19(17)27-29(14)21)26-22(31)16-6-5-15(12-18(16)24)28-11-3-10-25-28/h3-7,10-12,30H,8-9,13H2,1-2H3,(H,26,31)
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4.40E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083234
PNG
(CHEMBL3423044)
Show SMILES Cc1cc2nc(CCNC(=O)c3ccc(cc3Cl)-n3ccnc3)[nH]c2cc1C
Show InChI InChI=1S/C21H20ClN5O/c1-13-9-18-19(10-14(13)2)26-20(25-18)5-6-24-21(28)16-4-3-15(11-17(16)22)27-8-7-23-12-27/h3-4,7-12H,5-6H2,1-2H3,(H,24,28)(H,25,26)
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5.58E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083080
PNG
(CHEMBL3423049)
Show SMILES Cc1ccc(O)c2c3CC(C)(CCc3nn12)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C20H20ClN3O2/c1-12-7-8-17(25)18-14-11-20(2,10-9-16(14)23-24(12)18)22-19(26)13-5-3-4-6-15(13)21/h3-8,25H,9-11H2,1-2H3,(H,22,26)
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6.34E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083251
PNG
(CHEMBL3423027)
Show SMILES Clc1ccc2[nH]c(CCNC(=O)c3ccc(cc3)-n3cnnc3)nc2c1
Show InChI InChI=1S/C18H15ClN6O/c19-13-3-6-15-16(9-13)24-17(23-15)7-8-20-18(26)12-1-4-14(5-2-12)25-10-21-22-11-25/h1-6,9-11H,7-8H2,(H,20,26)(H,23,24)
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7.76E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083252
PNG
(CHEMBL3423026)
Show SMILES Cc1ccc2[nH]c(CCNC(=O)c3ccc(cc3)-n3cnnc3)nc2c1
Show InChI InChI=1S/C19H18N6O/c1-13-2-7-16-17(10-13)24-18(23-16)8-9-20-19(26)14-3-5-15(6-4-14)25-11-21-22-12-25/h2-7,10-12H,8-9H2,1H3,(H,20,26)(H,23,24)
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8.52E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083245
PNG
(CHEMBL3423033)
Show SMILES Cc1cc2nc(CCNC(=O)c3ccc(cc3)-n3cnnc3)[nH]c2cc1C
Show InChI InChI=1S/C20H20N6O/c1-13-9-17-18(10-14(13)2)25-19(24-17)7-8-21-20(27)15-3-5-16(6-4-15)26-11-22-23-12-26/h3-6,9-12H,7-8H2,1-2H3,(H,21,27)(H,24,25)
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9.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50083078
PNG
(CHEMBL3423050)
Show SMILES Cc1ccc(O)c2c3CC(C)(CCc3nn12)NC(=O)c1ccc(cc1Cl)-n1cnnc1
Show InChI InChI=1S/C22H21ClN6O2/c1-13-3-6-19(30)20-16-10-22(2,8-7-18(16)27-29(13)20)26-21(31)15-5-4-14(9-17(15)23)28-11-24-25-12-28/h3-6,9,11-12,30H,7-8,10H2,1-2H3,(H,26,31)
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1.20E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using n-Acetyl-KPR-AFC as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083152
PNG
(CHEMBL3423047)
Show SMILES Cc1ccc(O)c2c3CC(C)(CCc3nn12)NC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H20FN3O2/c1-12-3-8-17(25)18-15-11-20(2,10-9-16(15)23-24(12)18)22-19(26)13-4-6-14(21)7-5-13/h3-8,25H,9-11H2,1-2H3,(H,22,26)
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1.83E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083240
PNG
(CHEMBL3423038)
Show SMILES Cc1cc2nc(CCNC(=O)c3ccc(c(F)c3)-n3cnnc3)[nH]c2cc1C
Show InChI InChI=1S/C20H19FN6O/c1-12-7-16-17(8-13(12)2)26-19(25-16)5-6-22-20(28)14-3-4-18(15(21)9-14)27-10-23-24-11-27/h3-4,7-11H,5-6H2,1-2H3,(H,22,28)(H,25,26)
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1.88E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083081
PNG
(CHEMBL3423048)
Show SMILES Cc1ccc(O)c2c3CC(C)(CCc3nn12)NC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H20N4O2/c1-13-3-8-18(26)19-16-11-21(2,10-9-17(16)24-25(13)19)23-20(27)15-6-4-14(12-22)5-7-15/h3-8,26H,9-11H2,1-2H3,(H,23,27)
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2.06E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083261
PNG
(CHEMBL3423052)
Show SMILES Cc1ccc(O)c2c3CC(C)(CCc3nn12)NC(=O)c1ccc(cc1Cl)-n1nccn1
Show InChI InChI=1S/C22H21ClN6O2/c1-13-3-6-19(30)20-16-12-22(2,8-7-18(16)27-28(13)20)26-21(31)15-5-4-14(11-17(15)23)29-24-9-10-25-29/h3-6,9-11,30H,7-8,12H2,1-2H3,(H,26,31)
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3.03E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083250
PNG
(CHEMBL3423028)
Show SMILES FC(F)(F)c1ccc2[nH]c(CCNC(=O)c3ccc(cc3)-n3cnnc3)nc2c1
Show InChI InChI=1S/C19H15F3N6O/c20-19(21,22)13-3-6-15-16(9-13)27-17(26-15)7-8-23-18(29)12-1-4-14(5-2-12)28-10-24-25-11-28/h1-6,9-11H,7-8H2,(H,23,29)(H,26,27)
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3.22E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083257
PNG
(CHEMBL3423056)
Show SMILES C[C@H](Cc1nc2cc(C)c(C)cc2[nH]1)NC(=O)c1ccc(cc1Cl)-n1cnnc1 |r|
Show InChI InChI=1S/C21H21ClN6O/c1-12-6-18-19(7-13(12)2)27-20(26-18)8-14(3)25-21(29)16-5-4-15(9-17(16)22)28-10-23-24-11-28/h4-7,9-11,14H,8H2,1-3H3,(H,25,29)(H,26,27)/t14-/m1/s1
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3.50E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083247
PNG
(CHEMBL3423031)
Show SMILES NC(=N)c1ccc2[nH]c(CCNC(=O)c3ccc(cc3)-n3cnnc3)nc2c1
Show InChI InChI=1S/C19H18N8O/c20-18(21)13-3-6-15-16(9-13)26-17(25-15)7-8-22-19(28)12-1-4-14(5-2-12)27-10-23-24-11-27/h1-6,9-11H,7-8H2,(H3,20,21)(H,22,28)(H,25,26)
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5.42E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083258
PNG
(CHEMBL3423055)
Show SMILES C[C@@H](Cc1nc2cc(C)c(C)cc2[nH]1)NC(=O)c1ccc(cc1Cl)-n1cnnc1 |r|
Show InChI InChI=1S/C21H21ClN6O/c1-12-6-18-19(7-13(12)2)27-20(26-18)8-14(3)25-21(29)16-5-4-15(9-17(16)22)28-10-23-24-11-28/h4-7,9-11,14H,8H2,1-3H3,(H,25,29)(H,26,27)/t14-/m0/s1
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5.54E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50083228
PNG
(CHEMBL3423046)
Show SMILES Cc1ccc(O)c2c3CC(C)(CCc3nn12)NC(=O)c1ccc(cc1F)C#N
Show InChI InChI=1S/C21H19FN4O2/c1-12-3-6-18(27)19-15-10-21(2,8-7-17(15)25-26(12)19)24-20(28)14-5-4-13(11-23)9-16(14)22/h3-6,9,27H,7-8,10H2,1-2H3,(H,24,28)
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>6.25E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using n-Acetyl-KPR-AFC as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50083245
PNG
(CHEMBL3423033)
Show SMILES Cc1cc2nc(CCNC(=O)c3ccc(cc3)-n3cnnc3)[nH]c2cc1C
Show InChI InChI=1S/C20H20N6O/c1-13-9-17-18(10-14(13)2)25-19(24-17)7-8-21-20(27)15-3-5-16(6-4-15)26-11-22-23-12-26/h3-6,9-12H,7-8H2,1-2H3,(H,21,27)(H,24,25)
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>6.25E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using n-Acetyl-KPR-AFC as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083249
PNG
(CHEMBL3423029)
Show SMILES COc1ccc2[nH]c(CCNC(=O)c3ccc(cc3)-n3cnnc3)nc2c1
Show InChI InChI=1S/C19H18N6O2/c1-27-15-6-7-16-17(10-15)24-18(23-16)8-9-20-19(26)13-2-4-14(5-3-13)25-11-21-22-12-25/h2-7,10-12H,8-9H2,1H3,(H,20,26)(H,23,24)
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8.66E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083253
PNG
(CHEMBL3423025)
Show SMILES O=C(NCCc1nc2ccccc2[nH]1)c1ccc(cc1)-n1cnnc1
Show InChI InChI=1S/C18H16N6O/c25-18(13-5-7-14(8-6-13)24-11-20-21-12-24)19-10-9-17-22-15-3-1-2-4-16(15)23-17/h1-8,11-12H,9-10H2,(H,19,25)(H,22,23)
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1.14E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083236
PNG
(CHEMBL3423042)
Show SMILES Cc1cc2nc(CCNC(=O)c3ccc(cc3Cl)-n3ccnn3)[nH]c2cc1C
Show InChI InChI=1S/C20H19ClN6O/c1-12-9-17-18(10-13(12)2)25-19(24-17)5-6-22-20(28)15-4-3-14(11-16(15)21)27-8-7-23-26-27/h3-4,7-11H,5-6H2,1-2H3,(H,22,28)(H,24,25)
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1.30E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083246
PNG
(CHEMBL3423032)
Show SMILES Cc1ccc(O)c2nc(CCNC(=O)c3ccc(cc3Cl)-n3cnnc3)[nH]c12
Show InChI InChI=1S/C19H17ClN6O2/c1-11-2-5-15(27)18-17(11)24-16(25-18)6-7-21-19(28)13-4-3-12(8-14(13)20)26-9-22-23-10-26/h2-5,8-10,27H,6-7H2,1H3,(H,21,28)(H,24,25)
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1.31E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083235
PNG
(CHEMBL3423043)
Show SMILES Cc1cc2nc(CCNC(=O)c3ccc(cc3Cl)-n3nccn3)[nH]c2cc1C
Show InChI InChI=1S/C20H19ClN6O/c1-12-9-17-18(10-13(12)2)26-19(25-17)5-6-22-20(28)15-4-3-14(11-16(15)21)27-23-7-8-24-27/h3-4,7-11H,5-6H2,1-2H3,(H,22,28)(H,25,26)
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>1.45E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083242
PNG
(CHEMBL3423036)
Show SMILES Cc1cc2nc(CCNC(=O)c3ccc(cc3F)C#N)[nH]c2cc1C
Show InChI InChI=1S/C19H17FN4O/c1-11-7-16-17(8-12(11)2)24-18(23-16)5-6-22-19(25)14-4-3-13(10-21)9-15(14)20/h3-4,7-9H,5-6H2,1-2H3,(H,22,25)(H,23,24)
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>1.45E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083248
PNG
(CHEMBL3423030)
Show SMILES Cc1cccc2[nH]c(CCNC(=O)c3ccc(cc3)-n3cnnc3)nc12
Show InChI InChI=1S/C19H18N6O/c1-13-3-2-4-16-18(13)24-17(23-16)9-10-20-19(26)14-5-7-15(8-6-14)25-11-21-22-12-25/h2-8,11-12H,9-10H2,1H3,(H,20,26)(H,23,24)
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>1.45E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083244
PNG
(CHEMBL3423034)
Show SMILES Cc1cc2nc(CCNC(=O)c3ccccc3-n3cnnc3)[nH]c2cc1C
Show InChI InChI=1S/C20H20N6O/c1-13-9-16-17(10-14(13)2)25-19(24-16)7-8-21-20(27)15-5-3-4-6-18(15)26-11-22-23-12-26/h3-6,9-12H,7-8H2,1-2H3,(H,21,27)(H,24,25)
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>1.45E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083239
PNG
(CHEMBL3423039)
Show SMILES Cc1cc2nc(CCNC(=O)c3ccccc3Cl)[nH]c2cc1C
Show InChI InChI=1S/C18H18ClN3O/c1-11-9-15-16(10-12(11)2)22-17(21-15)7-8-20-18(23)13-5-3-4-6-14(13)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,23)(H,21,22)
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>1.45E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50083243
PNG
(CHEMBL3423035)
Show SMILES Cc1cc2nc(CCNC(=O)c3cccc(c3)-n3cnnc3)[nH]c2cc1C
Show InChI InChI=1S/C20H20N6O/c1-13-8-17-18(9-14(13)2)25-19(24-17)6-7-21-20(27)15-4-3-5-16(10-15)26-11-22-23-12-26/h3-5,8-12H,6-7H2,1-2H3,(H,21,27)(H,24,25)
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.45E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%