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Compile Data Set for Download or QSAR

Found 2907 hits with Last Name = 'qiao' and Initial = 'jx'   
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))
BDBM50266214
PNG
(6-(4-(1-(2-(dimethylamino)ethyl)cyclopropyl)phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CCN(C)C)CC1)C(F)(F)F
Show InChI InChI=1S/C27H29F3N4O2/c1-32(2)17-15-26(13-14-26)18-4-6-19(7-5-18)33-16-12-22-23(25(33)35)34(31-24(22)27(28,29)30)20-8-10-21(36-3)11-9-20/h4-11H,12-17H2,1-3H3
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0.0200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50266215
PNG
(1-(4-methoxyphenyl)-6-(4-(1-(2-(pyrrolidin-1-yl)et...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CCN2CCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C29H31F3N4O2/c1-38-23-10-8-22(9-11-23)36-25-24(26(33-36)29(30,31)32)12-18-35(27(25)37)21-6-4-20(5-7-21)28(13-14-28)15-19-34-16-2-3-17-34/h4-11H,2-3,12-19H2,1H3
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0.0200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243592
PNG
(1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C28H29F3N4O2/c1-37-22-10-8-21(9-11-22)35-24-23(25(32-35)28(29,30)31)12-17-34(26(24)36)20-6-4-19(5-7-20)27(13-14-27)18-33-15-2-3-16-33/h4-11H,2-3,12-18H2,1H3
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0.0200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50266249
PNG
(6-(4-(1-(4,5-dihydro-1H-imidazol-2-yl)cyclopropyl)...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)C1=NCCN1)C(F)(F)F |t:32|
Show InChI InChI=1S/C26H24F3N5O2/c1-36-19-8-6-18(7-9-19)34-21-20(22(32-34)26(27,28)29)10-15-33(23(21)35)17-4-2-16(3-5-17)25(11-12-25)24-30-13-14-31-24/h2-9H,10-15H2,1H3,(H,30,31)
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0.0200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243592
PNG
(1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C28H29F3N4O2/c1-37-22-10-8-21(9-11-22)35-24-23(25(32-35)28(29,30)31)12-17-34(26(24)36)20-6-4-19(5-7-20)27(13-14-27)18-33-15-2-3-16-33/h4-11H,2-3,12-18H2,1H3
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0.0210n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50243668
PNG
(1-(4-methoxyphenyl)-6-(4-(1-((2-methyl-1H-imidazol...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(Cn2ccnc2C)CC1)C(F)(F)F
Show InChI InChI=1S/C28H26F3N5O2/c1-18-32-14-16-34(18)17-27(12-13-27)19-3-5-20(6-4-19)35-15-11-23-24(26(35)37)36(33-25(23)28(29,30)31)21-7-9-22(38-2)10-8-21/h3-10,14,16H,11-13,15,17H2,1-2H3
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0.0250n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50266047
PNG
(1-(4-methoxyphenyl)-7-oxo-6-(4-(1-(pyrrolidin-1-yl...)
Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCCC2)CC1
Show InChI InChI=1S/C28H29N5O2/c1-35-23-10-8-22(9-11-23)33-26-24(25(18-29)30-33)12-17-32(27(26)34)21-6-4-20(5-7-21)28(13-14-28)19-31-15-2-3-16-31/h4-11H,2-3,12-17,19H2,1H3
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0.0300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243668
PNG
(1-(4-methoxyphenyl)-6-(4-(1-((2-methyl-1H-imidazol...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(Cn2ccnc2C)CC1)C(F)(F)F
Show InChI InChI=1S/C28H26F3N5O2/c1-18-32-14-16-34(18)17-27(12-13-27)19-3-5-20(6-4-19)35-15-11-23-24(26(35)37)36(33-25(23)28(29,30)31)21-7-9-22(38-2)10-8-21/h3-10,14,16H,11-13,15,17H2,1-2H3
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0.0300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243540
PNG
(6-(4-(1-((dimethylamino)methyl)cyclopropyl)phenyl)...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN(C)C)CC1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N4O2/c1-31(2)16-25(13-14-25)17-4-6-18(7-5-17)32-15-12-21-22(24(32)34)33(30-23(21)26(27,28)29)19-8-10-20(35-3)11-9-19/h4-11H,12-16H2,1-3H3
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0.0350n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243340
PNG
((R)-6-(4-(1-((3-hydroxypyrrolidin-1-yl)methyl)cycl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CC[C@@H](O)C2)CC1)C(F)(F)F |r|
Show InChI InChI=1S/C28H29F3N4O3/c1-38-22-8-6-20(7-9-22)35-24-23(25(32-35)28(29,30)31)11-15-34(26(24)37)19-4-2-18(3-5-19)27(12-13-27)17-33-14-10-21(36)16-33/h2-9,21,36H,10-17H2,1H3/t21-/m1/s1
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0.0380n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50266049
PNG
(1-(4-methoxyphenyl)-6-(4-(1-(morpholinomethyl)cycl...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCOCC2)CC1
Show InChI InChI=1S/C28H31N5O4/c1-36-22-8-6-21(7-9-22)33-25-23(24(30-33)26(29)34)10-13-32(27(25)35)20-4-2-19(3-5-20)28(11-12-28)18-31-14-16-37-17-15-31/h2-9H,10-18H2,1H3,(H2,29,34)
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0.0400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243540
PNG
(6-(4-(1-((dimethylamino)methyl)cyclopropyl)phenyl)...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN(C)C)CC1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N4O2/c1-31(2)16-25(13-14-25)17-4-6-18(7-5-17)32-15-12-21-22(24(32)34)33(30-23(21)26(27,28)29)19-8-10-20(35-3)11-9-19/h4-11H,12-16H2,1-3H3
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0.0400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50265826
PNG
(6-(4-(1-(dimethylamino)cyclopropyl)phenyl)-1-(4-me...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)N(C)C
Show InChI InChI=1S/C25H27N5O3/c1-28(2)25(13-14-25)16-4-6-17(7-5-16)29-15-12-20-21(23(26)31)27-30(22(20)24(29)32)18-8-10-19(33-3)11-9-18/h4-11H,12-15H2,1-3H3,(H2,26,31)
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0.0400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50266010
PNG
(6-(4-(1-((dimethylamino)methyl)cyclopropyl)phenyl)...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C1(CN(C)C)CC1
Show InChI InChI=1S/C26H29N5O3/c1-29(2)16-26(13-14-26)17-4-6-18(7-5-17)30-15-12-21-22(24(27)32)28-31(23(21)25(30)33)19-8-10-20(34-3)11-9-19/h4-11H,12-16H2,1-3H3,(H2,27,32)
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0.0400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243590
PNG
(6-(4-(1-((isopropylamino)methyl)cyclopropyl)phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CNC(C)C)CC1)C(F)(F)F
Show InChI InChI=1S/C27H29F3N4O2/c1-17(2)31-16-26(13-14-26)18-4-6-19(7-5-18)33-15-12-22-23(25(33)35)34(32-24(22)27(28,29)30)20-8-10-21(36-3)11-9-20/h4-11,17,31H,12-16H2,1-3H3
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0.0420n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50046438
PNG
(CHEMBL3359592)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C(C)(C)CNC1CC1
Show InChI InChI=1S/C27H31N5O3/c1-27(2,16-29-18-6-7-18)17-4-8-19(9-5-17)31-15-14-22-23(25(28)33)30-32(24(22)26(31)34)20-10-12-21(35-3)13-11-20/h4-5,8-13,18,29H,6-7,14-16H2,1-3H3,(H2,28,33)
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of purified human factor Xa


Bioorg Med Chem Lett 24: 3341-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.101
BindingDB Entry DOI: 10.7270/Q2Z039R1
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50046440
PNG
(CHEMBL3314447)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C(C)(C)CN1CCCC1
Show InChI InChI=1S/C28H33N5O3/c1-28(2,18-31-15-4-5-16-31)19-6-8-20(9-7-19)32-17-14-23-24(26(29)34)30-33(25(23)27(32)35)21-10-12-22(36-3)13-11-21/h6-13H,4-5,14-18H2,1-3H3,(H2,29,34)
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of purified human factor Xa


Bioorg Med Chem Lett 24: 3341-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.101
BindingDB Entry DOI: 10.7270/Q2Z039R1
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50266012
PNG
(1-(4-methoxyphenyl)-3-(methylsulfonyl)-6-(4-(1-(py...)
Show SMILES COc1ccc(cc1)N1N=C(C2CCN(C(=O)C12)c1ccc(cc1)C1(CN2CCCC2)CC1)S(C)(=O)=O |c:10|
Show InChI InChI=1S/C28H34N4O4S/c1-36-23-11-9-22(10-12-23)32-25-24(26(29-32)37(2,34)35)13-18-31(27(25)33)21-7-5-20(6-8-21)28(14-15-28)19-30-16-3-4-17-30/h5-12,24-25H,3-4,13-19H2,1-2H3
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50266009
PNG
(6-(4-(1-((dimethylamino)methyl)cyclopropyl)phenyl)...)
Show SMILES COc1ccc(cc1)N1N=C(C2CCN(C(=O)C12)c1ccc(cc1)C1(CN(C)C)CC1)S(C)(=O)=O |c:10|
Show InChI InChI=1S/C26H32N4O4S/c1-28(2)17-26(14-15-26)18-5-7-19(8-6-18)29-16-13-22-23(25(29)31)30(27-24(22)35(4,32)33)20-9-11-21(34-3)12-10-20/h5-12,22-23H,13-17H2,1-4H3
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50266011
PNG
(6-(4-(1-((dimethylamino)methyl)cyclopropyl)phenyl)...)
Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C(=O)c12)c1ccc(cc1)C1(CN(C)C)CC1
Show InChI InChI=1S/C26H27N5O2/c1-29(2)17-26(13-14-26)18-4-6-19(7-5-18)30-15-12-22-23(16-27)28-31(24(22)25(30)32)20-8-10-21(33-3)11-9-20/h4-11H,12-15,17H2,1-3H3
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243630
PNG
(1-(4-methoxyphenyl)-6-(4-(1-((thiazol-2-ylamino)me...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CNc2nccs2)CC1)C(F)(F)F
Show InChI InChI=1S/C27H24F3N5O2S/c1-37-20-8-6-19(7-9-20)35-22-21(23(33-35)27(28,29)30)10-14-34(24(22)36)18-4-2-17(3-5-18)26(11-12-26)16-32-25-31-13-15-38-25/h2-9,13,15H,10-12,14,16H2,1H3,(H,31,32)
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0.0540n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243669
PNG
(CHEMBL511486 | N-((1-(4-(1-(4-methoxyphenyl)-7-oxo...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN(C)C(C)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N4O3/c1-17(35)32(2)16-26(13-14-26)18-4-6-19(7-5-18)33-15-12-22-23(25(33)36)34(31-24(22)27(28,29)30)20-8-10-21(37-3)11-9-20/h4-11H,12-16H2,1-3H3
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0.0550n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243628
PNG
(1-(4-methoxyphenyl)-6-(4-(1-(morpholinomethyl)cycl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCOCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C28H29F3N4O3/c1-37-22-8-6-21(7-9-22)35-24-23(25(32-35)28(29,30)31)10-13-34(26(24)36)20-4-2-19(3-5-20)27(11-12-27)18-33-14-16-38-17-15-33/h2-9H,10-18H2,1H3
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0.0600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50265977
PNG
(1-(4-methoxyphenyl)-6-(4-(1-((methylamino)methyl)c...)
Show SMILES CNCC1(CC1)c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O
Show InChI InChI=1S/C25H27N5O3/c1-27-15-25(12-13-25)16-3-5-17(6-4-16)29-14-11-20-21(23(26)31)28-30(22(20)24(29)32)18-7-9-19(33-2)10-8-18/h3-10,27H,11-15H2,1-2H3,(H2,26,31)
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0.0600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50046441
PNG
(CHEMBL3314448)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C(C)(C)CN1CCOCC1
Show InChI InChI=1S/C28H33N5O4/c1-28(2,18-31-14-16-37-17-15-31)19-4-6-20(7-5-19)32-13-12-23-24(26(29)34)30-33(25(23)27(32)35)21-8-10-22(36-3)11-9-21/h4-11H,12-18H2,1-3H3,(H2,29,34)
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0.0600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of purified human factor Xa


Bioorg Med Chem Lett 24: 3341-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.101
BindingDB Entry DOI: 10.7270/Q2Z039R1
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243628
PNG
(1-(4-methoxyphenyl)-6-(4-(1-(morpholinomethyl)cycl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCOCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C28H29F3N4O3/c1-37-22-8-6-21(7-9-22)35-24-23(25(32-35)28(29,30)31)10-13-34(26(24)36)20-4-2-19(3-5-20)27(11-12-27)18-33-14-16-38-17-15-33/h2-9H,10-18H2,1H3
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0.0640n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50046521
PNG
(CHEMBL3314454)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C(C)(C)N1CCCC1
Show InChI InChI=1S/C27H31N5O3/c1-27(2,30-15-4-5-16-30)18-6-8-19(9-7-18)31-17-14-22-23(25(28)33)29-32(24(22)26(31)34)20-10-12-21(35-3)13-11-20/h6-13H,4-5,14-17H2,1-3H3,(H2,28,33)
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0.0700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of purified human factor Xa


Bioorg Med Chem Lett 24: 3341-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.101
BindingDB Entry DOI: 10.7270/Q2Z039R1
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50046434
PNG
(CHEMBL3314445)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C(C)(C)CN(C)C
Show InChI InChI=1S/C26H31N5O3/c1-26(2,16-29(3)4)17-6-8-18(9-7-17)30-15-14-21-22(24(27)32)28-31(23(21)25(30)33)19-10-12-20(34-5)13-11-19/h6-13H,14-16H2,1-5H3,(H2,27,32)
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0.0700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of purified human factor Xa


Bioorg Med Chem Lett 24: 3341-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.101
BindingDB Entry DOI: 10.7270/Q2Z039R1
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50266080
PNG
(1-(4-methoxyphenyl)-6-(4-(1-((2-methyl-1H-imidazol...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(Cn2ccnc2C)CC1)S(C)(=O)=O
Show InChI InChI=1S/C28H29N5O4S/c1-19-29-15-17-31(19)18-28(13-14-28)20-4-6-21(7-5-20)32-16-12-24-25(27(32)34)33(30-26(24)38(3,35)36)22-8-10-23(37-2)11-9-22/h4-11,15,17H,12-14,16,18H2,1-3H3
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0.0700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50266013
PNG
(1-(4-methoxyphenyl)-7-oxo-6-(4-(1-(pyrrolidin-1-yl...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCCC2)CC1
Show InChI InChI=1S/C28H31N5O3/c1-36-22-10-8-21(9-11-22)33-25-23(24(30-33)26(29)34)12-17-32(27(25)35)20-6-4-19(5-7-20)28(13-14-28)18-31-15-2-3-16-31/h4-11H,2-3,12-18H2,1H3,(H2,29,34)
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0.0700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50265948
PNG
(6-(4-(1-((2-hydroxyethyl)(methyl)amino)cyclopropyl...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)N(C)CCO
Show InChI InChI=1S/C26H29N5O4/c1-29(15-16-32)26(12-13-26)17-3-5-18(6-4-17)30-14-11-21-22(24(27)33)28-31(23(21)25(30)34)19-7-9-20(35-2)10-8-19/h3-10,32H,11-16H2,1-2H3,(H2,27,33)
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0.0700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50265916
PNG
(1-(4-methoxyphenyl)-6-(4-(1-(methylsulfonylmethyl)...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C1(CS(C)(=O)=O)CC1
Show InChI InChI=1S/C25H26N4O5S/c1-34-19-9-7-18(8-10-19)29-22-20(21(27-29)23(26)30)11-14-28(24(22)31)17-5-3-16(4-6-17)25(12-13-25)15-35(2,32)33/h3-10H,11-15H2,1-2H3,(H2,26,30)
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0.0700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50266320
PNG
(1-(4-methoxyphenyl)-6-(4-(1-(methylamino)cycloprop...)
Show SMILES CNC1(CC1)c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O
Show InChI InChI=1S/C24H25N5O3/c1-26-24(12-13-24)15-3-5-16(6-4-15)28-14-11-19-20(22(25)30)27-29(21(19)23(28)31)17-7-9-18(32-2)10-8-17/h3-10,26H,11-14H2,1-2H3,(H2,25,30)
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0.0700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243670
PNG
(CHEMBL471734 | N-((1-(4-(1-(4-methoxyphenyl)-7-oxo...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN(C)S(C)(=O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N4O4S/c1-31(38(3,35)36)16-25(13-14-25)17-4-6-18(7-5-17)32-15-12-21-22(24(32)34)33(30-23(21)26(27,28)29)19-8-10-20(37-2)11-9-19/h4-11H,12-16H2,1-3H3
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0.0740n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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0.0800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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0.0800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50266048
PNG
(1-(4-methoxyphenyl)-3-(methylsulfonyl)-6-(4-(1-(mo...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCOCC2)CC1)S(C)(=O)=O
Show InChI InChI=1S/C28H32N4O5S/c1-36-23-9-7-22(8-10-23)32-25-24(26(29-32)38(2,34)35)11-14-31(27(25)33)21-5-3-20(4-6-21)28(12-13-28)19-30-15-17-37-18-16-30/h3-10H,11-19H2,1-2H3
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0.0800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50265827
PNG
(6-(4-(1-(dimethylamino)cyclopropyl)phenyl)-1-(4-me...)
Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)N(C)C
Show InChI InChI=1S/C25H25N5O2/c1-28(2)25(13-14-25)17-4-6-18(7-5-17)29-15-12-21-22(16-26)27-30(23(21)24(29)31)19-8-10-20(32-3)11-9-19/h4-11H,12-15H2,1-3H3
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0.0800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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0.0800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of purified human factor Xa


Bioorg Med Chem Lett 24: 3341-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.101
BindingDB Entry DOI: 10.7270/Q2Z039R1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50266050
PNG
(1-(4-methoxyphenyl)-6-(4-(1-(morpholinomethyl)cycl...)
Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCOCC2)CC1
Show InChI InChI=1S/C28H29N5O3/c1-35-23-8-6-22(7-9-23)33-26-24(25(18-29)30-33)10-13-32(27(26)34)21-4-2-20(3-5-21)28(11-12-28)19-31-14-16-36-17-15-31/h2-9H,10-17,19H2,1H3
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0.0900n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50266112
PNG
(6-(4-(1-(dimethylamino)cyclopropyl)phenyl)-1-(4-me...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)N(C)C)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4O2/c1-30(2)24(13-14-24)16-4-6-17(7-5-16)31-15-12-20-21(23(31)33)32(29-22(20)25(26,27)28)18-8-10-19(34-3)11-9-18/h4-11H,12-15H2,1-3H3
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0.0900n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50046430
PNG
(CHEMBL3314442)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C(C)(C)CN(C)C)S(C)(=O)=O
Show InChI InChI=1S/C26H32N4O4S/c1-26(2,17-28(3)4)18-7-9-19(10-8-18)29-16-15-22-23(25(29)31)30(27-24(22)35(6,32)33)20-11-13-21(34-5)14-12-20/h7-14H,15-17H2,1-6H3
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0.110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of purified human factor Xa


Bioorg Med Chem Lett 24: 3341-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.101
BindingDB Entry DOI: 10.7270/Q2Z039R1
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50266082
PNG
(1-(4-methoxyphenyl)-7-oxo-6-(4-(1-((2-oxopyrrolidi...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCCC2=O)CC1
Show InChI InChI=1S/C28H29N5O4/c1-37-21-10-8-20(9-11-21)33-25-22(24(30-33)26(29)35)12-16-32(27(25)36)19-6-4-18(5-7-19)28(13-14-28)17-31-15-2-3-23(31)34/h4-11H,2-3,12-17H2,1H3,(H2,29,35)
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0.110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243591
PNG
(6-(4-(1-((cyclopentylamino)methyl)cyclopropyl)phen...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CNC2CCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C29H31F3N4O2/c1-38-23-12-10-22(11-13-23)36-25-24(26(34-36)29(30,31)32)14-17-35(27(25)37)21-8-6-19(7-9-21)28(15-16-28)18-33-20-4-2-3-5-20/h6-13,20,33H,2-5,14-18H2,1H3
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0.120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50266113
PNG
(6-(4-(1-((2-hydroxyethyl)(methyl)amino)cyclopropyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)N(C)CCO)C(F)(F)F
Show InChI InChI=1S/C26H27F3N4O3/c1-31(15-16-34)25(12-13-25)17-3-5-18(6-4-17)32-14-11-21-22(24(32)35)33(30-23(21)26(27,28)29)19-7-9-20(36-2)10-8-19/h3-10,34H,11-16H2,1-2H3
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0.120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50266114
PNG
(2-((1-(4-(1-(4-methoxyphenyl)-7-oxo-3-(trifluorome...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)N(C)CC(N)=O)C(F)(F)F
Show InChI InChI=1S/C26H26F3N5O3/c1-32(15-21(30)35)25(12-13-25)16-3-5-17(6-4-16)33-14-11-20-22(24(33)36)34(31-23(20)26(27,28)29)18-7-9-19(37-2)10-8-18/h3-10H,11-15H2,1-2H3,(H2,30,35)
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50242831
PNG
(3-ethyl-1-((1-(4-(1-(4-methoxyphenyl)-7-oxo-3-(tri...)
Show SMILES CCNC(=O)N(C)CC1(CC1)c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(F)(F)F
Show InChI InChI=1S/C28H30F3N5O3/c1-4-32-26(38)34(2)17-27(14-15-27)18-5-7-19(8-6-18)35-16-13-22-23(25(35)37)36(33-24(22)28(29,30)31)20-9-11-21(39-3)12-10-20/h5-12H,4,13-17H2,1-3H3,(H,32,38)
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50265828
PNG
(1-(4-methoxyphenyl)-6-(4-(1-(2-morpholinoethyl)cyc...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C1(CCN2CCOCC2)CC1
Show InChI InChI=1S/C29H33N5O4/c1-37-23-8-6-22(7-9-23)34-26-24(25(31-34)27(30)35)10-14-33(28(26)36)21-4-2-20(3-5-21)29(11-12-29)13-15-32-16-18-38-19-17-32/h2-9H,10-19H2,1H3,(H2,30,35)
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243629
PNG
(6-(4-(1-((4-hydroxypiperidin-1-yl)methyl)cycloprop...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCC(O)CC2)CC1)C(F)(F)F
Show InChI InChI=1S/C29H31F3N4O3/c1-39-23-8-6-21(7-9-23)36-25-24(26(33-36)29(30,31)32)12-17-35(27(25)38)20-4-2-19(3-5-20)28(13-14-28)18-34-15-10-22(37)11-16-34/h2-9,22,37H,10-18H2,1H3
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50046445
PNG
(CHEMBL3314450)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C(C)(C)CN
Show InChI InChI=1S/C24H27N5O3/c1-24(2,14-25)15-4-6-16(7-5-15)28-13-12-19-20(22(26)30)27-29(21(19)23(28)31)17-8-10-18(32-3)11-9-17/h4-11H,12-14,25H2,1-3H3,(H2,26,30)
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0.150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of purified human factor Xa


Bioorg Med Chem Lett 24: 3341-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.101
BindingDB Entry DOI: 10.7270/Q2Z039R1
More data for this
Ligand-Target Pair
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