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Compile Data Set for Download or QSAR

Found 600 hits with Last Name = 'xin' and Initial = 'b'   
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))
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))
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))
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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0.0200n/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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
BDBM18991
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r|
Show InChI InChI=1S/C31H31N5O4/c1-40-25-12-10-23(11-13-25)36-29-27(28(33-36)30(32)38)15-17-35(31(29)39)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-34-16-14-24(37)19-34/h2-13,24,37H,14-19H2,1H3,(H2,32,38)/t24-/m1/s1
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0.0700 -57.4n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
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))
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 XI


(Homo sapiens (Human))
BDBM50250493
PNG
(CHEMBL4068445)
PDB
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0.0700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




J Med Chem 60: 9703-9723 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01171
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))
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))
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))
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



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
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))
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))
BDBM19010
PNG
(6-(4-{2-[(diethylamino)methyl]phenyl}phenyl)-1-(4-...)
Show SMILES CCN(CC)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O
Show InChI InChI=1S/C31H33N5O3/c1-4-34(5-2)20-22-8-6-7-9-26(22)21-10-12-23(13-11-21)35-19-18-27-28(30(32)37)33-36(29(27)31(35)38)24-14-16-25(39-3)17-15-24/h6-17H,4-5,18-20H2,1-3H3,(H2,32,37)
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0.0800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
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 XI


(Homo sapiens (Human))
BDBM50250492
PNG
(CHEMBL4097304)
PDB
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0.0980n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




J Med Chem 60: 9703-9723 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01171
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))
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))
BDBM19008
PNG
(1-(4-methoxyphenyl)-6-(4-{2-[(methylamino)methyl]p...)
Show SMILES CNCc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O
Show InChI InChI=1S/C28H27N5O3/c1-30-17-19-5-3-4-6-23(19)18-7-9-20(10-8-18)32-16-15-24-25(27(29)34)31-33(26(24)28(32)35)21-11-13-22(36-2)14-12-21/h3-14,30H,15-17H2,1-2H3,(H2,29,34)
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
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))
BDBM50265978
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
Show InChI InChI=1S/C25H25N5O2/c1-27-16-25(12-13-25)17-3-5-18(6-4-17)29-14-11-21-22(15-26)28-30(23(21)24(29)31)19-7-9-20(32-2)10-8-19/h3-10,27H,11-14,16H2,1-2H3
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0.150n/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))
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50266250
PNG
(1-(4-methoxyphenyl)-6-(4-(1-(1-methyl-4,5-dihydro-...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)C1=NCCN1C)C(F)(F)F |t:32|
Show InChI InChI=1S/C27H26F3N5O2/c1-33-16-14-31-25(33)26(12-13-26)17-3-5-18(6-4-17)34-15-11-21-22(24(34)36)35(32-23(21)27(28,29)30)19-7-9-20(37-2)10-8-19/h3-10H,11-16H2,1-2H3
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0.160n/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))
BDBM50266111
PNG
(1-(4-methoxyphenyl)-6-(4-(1-(methylamino)cycloprop...)
Show SMILES CNC1(CC1)c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(F)(F)F
Show InChI InChI=1S/C24H23F3N4O2/c1-28-23(12-13-23)15-3-5-16(6-4-15)30-14-11-19-20(22(30)32)31(29-21(19)24(25,26)27)17-7-9-18(33-2)10-8-17/h3-10,28H,11-14H2,1-2H3
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0.160n/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))
BDBM50265914
PNG
(6-(4-(1-acetylcyclopropyl)phenyl)-1-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)C(C)=O
Show InChI InChI=1S/C25H24N4O4/c1-15(30)25(12-13-25)16-3-5-17(6-4-16)28-14-11-20-21(23(26)31)27-29(22(20)24(28)32)18-7-9-19(33-2)10-8-18/h3-10H,11-14H2,1-2H3,(H2,26,31)
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0.180n/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))
BDBM50243539
PNG
(1-(4-methoxyphenyl)-6-(4-(1-((methylamino)methyl)c...)
Show SMILES CNCC1(CC1)c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4O2/c1-29-15-24(12-13-24)16-3-5-17(6-4-16)31-14-11-20-21(23(31)33)32(30-22(20)25(26,27)28)18-7-9-19(34-2)10-8-18/h3-10,29H,11-15H2,1-2H3
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0.180n/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))
BDBM12743
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r|
Show InChI InChI=1S/C31H29F3N4O3/c1-41-25-12-10-23(11-13-25)38-28-27(29(35-38)31(32,33)34)15-17-37(30(28)40)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-36-16-14-24(39)19-36/h2-13,24,39H,14-19H2,1H3/t24-/m1/s1
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0.180 -55.1n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12676
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...)
Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
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0.190n/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)
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