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Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50043936   
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 XI


(Homo sapiens (Human))
BDBM50448581
PNG
(CHEMBL3127463)
Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)C1CC(C)(c2ccccc2)c2cc(ccc2N1)C(N)=N
Show InChI InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448585
PNG
(CHEMBL3127489)
Show SMILES CCCC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)[C@@H]1C[C@](C)(c2ccccc2)c2cc(ccc2N1)C(N)=N
Show InChI InChI=1S/C35H35N5O4/c1-3-7-31(41)39-25-15-22(26-12-10-21(33(38)42)17-27(26)34(43)44)14-23(16-25)30-19-35(2,24-8-5-4-6-9-24)28-18-20(32(36)37)11-13-29(28)40-30/h4-6,8-18,30,40H,3,7,19H2,1-2H3,(H3,36,37)(H2,38,42)(H,39,41)(H,43,44)/t30-,35+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448582
PNG
(CHEMBL3127370)
Show SMILES CC1(CC(Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccc(cc1C(O)=O)C(N)=O)c1ccccc1
Show InChI InChI=1S/C31H28N4O3/c1-31(22-8-3-2-4-9-22)17-27(35-26-13-11-20(28(32)33)16-25(26)31)19-7-5-6-18(14-19)23-12-10-21(29(34)36)15-24(23)30(37)38/h2-16,27,35H,17H2,1H3,(H3,32,33)(H2,34,36)(H,37,38)
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0.390n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448583
PNG
(CHEMBL3127491)
Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)[C@@H]1C[C@](C)(c2ccccc2)c2cc(ccc2N1)C(N)=N
Show InChI InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)/t31-,36+/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448588
PNG
(CHEMBL3127486)
Show SMILES C[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cc(N)cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)c1ccccc1
Show InChI InChI=1S/C31H29N5O3/c1-31(21-5-3-2-4-6-21)16-27(36-26-10-8-17(28(33)34)15-25(26)31)20-11-19(12-22(32)13-20)23-9-7-18(29(35)37)14-24(23)30(38)39/h2-15,27,36H,16,32H2,1H3,(H3,33,34)(H2,35,37)(H,38,39)/t27-,31+/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448586
PNG
(CHEMBL3127488)
Show SMILES CCC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)[C@@H]1C[C@](C)(c2ccccc2)c2cc(ccc2N1)C(N)=N
Show InChI InChI=1S/C34H33N5O4/c1-3-30(40)38-24-14-21(25-11-9-20(32(37)41)16-26(25)33(42)43)13-22(15-24)29-18-34(2,23-7-5-4-6-8-23)27-17-19(31(35)36)10-12-28(27)39-29/h4-17,29,39H,3,18H2,1-2H3,(H3,35,36)(H2,37,41)(H,38,40)(H,42,43)/t29-,34+/m0/s1
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0.690n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448584
PNG
(CHEMBL3127490)
Show SMILES C[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cc(NC(=O)C2CC2)cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)c1ccccc1
Show InChI InChI=1S/C35H33N5O4/c1-35(24-5-3-2-4-6-24)18-30(40-29-12-10-20(31(36)37)17-28(29)35)23-13-22(14-25(15-23)39-33(42)19-7-8-19)26-11-9-21(32(38)41)16-27(26)34(43)44/h2-6,9-17,19,30,40H,7-8,18H2,1H3,(H3,36,37)(H2,38,41)(H,39,42)(H,43,44)/t30-,35+/m0/s1
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0.720n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448587
PNG
(CHEMBL3127487)
Show SMILES CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)[C@@H]1C[C@](C)(c2ccccc2)c2cc(ccc2N1)C(N)=N
Show InChI InChI=1S/C33H31N5O4/c1-18(39)37-24-13-21(25-10-8-20(31(36)40)15-26(25)32(41)42)12-22(14-24)29-17-33(2,23-6-4-3-5-7-23)27-16-19(30(34)35)9-11-28(27)38-29/h3-16,29,38H,17H2,1-2H3,(H3,34,35)(H2,36,40)(H,37,39)(H,41,42)/t29-,33+/m0/s1
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448602
PNG
(CHEMBL3127473)
Show SMILES C[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccc(cc1C(O)=O)C(N)=O)c1ccccc1
Show InChI InChI=1S/C31H28N4O3/c1-31(22-8-3-2-4-9-22)17-27(35-26-13-11-20(28(32)33)16-25(26)31)19-7-5-6-18(14-19)23-12-10-21(29(34)36)15-24(23)30(37)38/h2-16,27,35H,17H2,1H3,(H3,32,33)(H2,34,36)(H,37,38)/t27-,31+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448605
PNG
(CHEMBL3127469)
Show SMILES NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O
Show InChI InChI=1S/C30H25N3O4/c31-28(32)20-10-12-26-24(14-20)23(17-5-2-1-3-6-17)16-27(33-26)19-8-4-7-18(13-19)22-11-9-21(29(34)35)15-25(22)30(36)37/h1-15,23,27,33H,16H2,(H3,31,32)(H,34,35)(H,36,37)/t23-,27+/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448589
PNG
(CHEMBL3127485)
Show SMILES NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1cc(N)cc(c1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C29H26N4O2/c30-21-13-19(22-8-4-5-9-23(22)29(34)35)12-20(14-21)27-16-24(17-6-2-1-3-7-17)25-15-18(28(31)32)10-11-26(25)33-27/h1-15,24,27,33H,16,30H2,(H3,31,32)(H,34,35)/t24-,27+/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448608
PNG
(CHEMBL3127466)
Show SMILES NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1ccccc1-c1ccc(cc1C(O)=O)C(O)=O
Show InChI InChI=1S/C30H25N3O4/c31-28(32)18-11-13-26-24(14-18)23(17-6-2-1-3-7-17)16-27(33-26)22-9-5-4-8-20(22)21-12-10-19(29(34)35)15-25(21)30(36)37/h1-15,23,27,33H,16H2,(H3,31,32)(H,34,35)(H,36,37)/t23-,27+/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448601
PNG
(CHEMBL3127474)
Show SMILES CNC(=O)Nc1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O
Show InChI InChI=1S/C32H31N5O3/c1-32(22-9-4-3-5-10-22)18-28(37-27-14-11-21(29(33)34)16-26(27)32)20-8-6-7-19(15-20)24-13-12-23(36-31(40)35-2)17-25(24)30(38)39/h3-17,28,37H,18H2,1-2H3,(H3,33,34)(H,38,39)(H2,35,36,40)/t28-,32+/m0/s1
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15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448606
PNG
(CHEMBL3127468)
Show SMILES CC(C)CNC(=O)c1ccc(-c2cccc(c2)[C@@H]2C[C@H](c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O
Show InChI InChI=1S/C34H34N4O3/c1-20(2)19-37-33(39)25-11-13-26(29(17-25)34(40)41)22-9-6-10-23(15-22)31-18-27(21-7-4-3-5-8-21)28-16-24(32(35)36)12-14-30(28)38-31/h3-17,20,27,31,38H,18-19H2,1-2H3,(H3,35,36)(H,37,39)(H,40,41)/t27-,31+/m1/s1
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23n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50448606
PNG
(CHEMBL3127468)
Show SMILES CC(C)CNC(=O)c1ccc(-c2cccc(c2)[C@@H]2C[C@H](c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O
Show InChI InChI=1S/C34H34N4O3/c1-20(2)19-37-33(39)25-11-13-26(29(17-25)34(40)41)22-9-6-10-23(15-22)31-18-27(21-7-4-3-5-8-21)28-16-24(32(35)36)12-14-30(28)38-31/h3-17,20,27,31,38H,18-19H2,1-2H3,(H3,35,36)(H,37,39)(H,40,41)/t27-,31+/m1/s1
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24n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448610
PNG
(CHEMBL3127464)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1[C@@H]1C[C@H](c2ccccc2)c2cc(ccc2N1)C(N)=N
Show InChI InChI=1S/C34H34N4O3/c1-20(2)19-37-33(39)23-12-14-25(29(17-23)34(40)41)24-10-6-7-11-26(24)31-18-27(21-8-4-3-5-9-21)28-16-22(32(35)36)13-15-30(28)38-31/h3-17,20,27,31,38H,18-19H2,1-2H3,(H3,35,36)(H,37,39)(H,40,41)/t27-,31+/m1/s1
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25n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448590
PNG
(CHEMBL3127484)
Show SMILES C[C@@]1(C[C@@H](Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccc(cc1C(O)=O)C(N)=O)c1ccccc1
Show InChI InChI=1S/C31H28N4O3/c1-31(22-8-3-2-4-9-22)17-27(35-26-13-11-20(28(32)33)16-25(26)31)19-7-5-6-18(14-19)23-12-10-21(29(34)36)15-24(23)30(37)38/h2-16,27,35H,17H2,1H3,(H3,32,33)(H2,34,36)(H,37,38)/t27-,31-/m1/s1
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26n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448600
PNG
(CHEMBL3124966)
Show SMILES C[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccc(NS(C)(=O)=O)cc1C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H30N4O4S/c1-31(22-9-4-3-5-10-22)18-28(34-27-14-11-21(29(32)33)16-26(27)31)20-8-6-7-19(15-20)24-13-12-23(35-40(2,38)39)17-25(24)30(36)37/h3-17,28,34-35H,18H2,1-2H3,(H3,32,33)(H,36,37)/t28-,31+/m0/s1
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37n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448599
PNG
(CHEMBL3127475)
Show SMILES C[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccc(cc1C(O)=O)C#N)c1ccccc1
Show InChI InChI=1S/C31H26N4O2/c1-31(23-8-3-2-4-9-23)17-28(35-27-13-11-22(29(33)34)16-26(27)31)21-7-5-6-20(15-21)24-12-10-19(18-32)14-25(24)30(36)37/h2-16,28,35H,17H2,1H3,(H3,33,34)(H,36,37)/t28-,31+/m0/s1
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48n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50448589
PNG
(CHEMBL3127485)
Show SMILES NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1cc(N)cc(c1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C29H26N4O2/c30-21-13-19(22-8-4-5-9-23(22)29(34)35)12-20(14-21)27-16-24(17-6-2-1-3-7-17)25-15-18(28(31)32)10-11-26(25)33-27/h1-15,24,27,33H,16,30H2,(H3,31,32)(H,34,35)/t24-,27+/m1/s1
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57n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448580
PNG
(CHEMBL3127470)
Show SMILES C[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H27N3O4/c1-31(22-8-3-2-4-9-22)17-27(34-26-13-11-20(28(32)33)16-25(26)31)19-7-5-6-18(14-19)23-12-10-21(29(35)36)15-24(23)30(37)38/h2-16,27,34H,17H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,31+/m0/s1
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61n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448598
PNG
(CHEMBL3127476)
Show SMILES C[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccc(N)cc1C(O)=O)c1ccccc1
Show InChI InChI=1S/C30H28N4O2/c1-30(21-8-3-2-4-9-21)17-27(34-26-13-10-20(28(32)33)15-25(26)30)19-7-5-6-18(14-19)23-12-11-22(31)16-24(23)29(35)36/h2-16,27,34H,17,31H2,1H3,(H3,32,33)(H,35,36)/t27-,30+/m0/s1
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64n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50448581
PNG
(CHEMBL3127463)
Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)C1CC(C)(c2ccccc2)c2cc(ccc2N1)C(N)=N
Show InChI InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)
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73n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human activated protein C assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448597
PNG
(CHEMBL3127477)
Show SMILES COC(=O)c1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O
Show InChI InChI=1S/C32H29N3O4/c1-32(23-9-4-3-5-10-23)18-28(35-27-14-12-21(29(33)34)17-26(27)32)20-8-6-7-19(15-20)24-13-11-22(31(38)39-2)16-25(24)30(36)37/h3-17,28,35H,18H2,1-2H3,(H3,33,34)(H,36,37)/t28-,32+/m0/s1
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79n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448596
PNG
(CHEMBL3127478)
Show SMILES C[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccccc1C(O)=O)c1ccccc1
Show InChI InChI=1S/C30H27N3O2/c1-30(22-10-3-2-4-11-22)18-27(33-26-15-14-21(28(31)32)17-25(26)30)20-9-7-8-19(16-20)23-12-5-6-13-24(23)29(34)35/h2-17,27,33H,18H2,1H3,(H3,31,32)(H,34,35)/t27-,30+/m0/s1
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110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448595
PNG
(CHEMBL3127479)
Show SMILES CC(=O)Nc1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O
Show InChI InChI=1S/C32H30N4O3/c1-19(37)35-24-12-13-25(26(17-24)31(38)39)20-7-6-8-21(15-20)29-18-32(2,23-9-4-3-5-10-23)27-16-22(30(33)34)11-14-28(27)36-29/h3-17,29,36H,18H2,1-2H3,(H3,33,34)(H,35,37)(H,38,39)/t29-,32+/m0/s1
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110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448609
PNG
(CHEMBL3127465)
Show SMILES NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1ccccc1-c1ccccc1C(O)=O
Show InChI InChI=1S/C29H25N3O2/c30-28(31)19-14-15-26-25(16-19)24(18-8-2-1-3-9-18)17-27(32-26)22-12-6-4-10-20(22)21-11-5-7-13-23(21)29(33)34/h1-16,24,27,32H,17H2,(H3,30,31)(H,33,34)/t24-,27+/m1/s1
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110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50448605
PNG
(CHEMBL3127469)
Show SMILES NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O
Show InChI InChI=1S/C30H25N3O4/c31-28(32)20-10-12-26-24(14-20)23(17-5-2-1-3-6-17)16-27(33-26)19-8-4-7-18(13-19)22-11-9-21(29(34)35)15-25(22)30(36)37/h1-15,23,27,33H,16H2,(H3,31,32)(H,34,35)(H,36,37)/t23-,27+/m1/s1
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130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448594
PNG
(CHEMBL3127480)
Show SMILES CNC(=O)c1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O
Show InChI InChI=1S/C32H30N4O3/c1-32(23-9-4-3-5-10-23)18-28(36-27-14-12-21(29(33)34)17-26(27)32)20-8-6-7-19(15-20)24-13-11-22(30(37)35-2)16-25(24)31(38)39/h3-17,28,36H,18H2,1-2H3,(H3,33,34)(H,35,37)(H,38,39)/t28-,32+/m0/s1
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154n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448593
PNG
(CHEMBL3127481)
Show SMILES CC(C)NC(=O)c1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O
Show InChI InChI=1S/C34H34N4O3/c1-20(2)37-32(39)24-12-14-26(27(17-24)33(40)41)21-8-7-9-22(16-21)30-19-34(3,25-10-5-4-6-11-25)28-18-23(31(35)36)13-15-29(28)38-30/h4-18,20,30,38H,19H2,1-3H3,(H3,35,36)(H,37,39)(H,40,41)/t30-,34+/m0/s1
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207n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448581
PNG
(CHEMBL3127463)
Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)C1CC(C)(c2ccccc2)c2cc(ccc2N1)C(N)=N
Show InChI InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)
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230n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448582
PNG
(CHEMBL3127370)
Show SMILES CC1(CC(Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccc(cc1C(O)=O)C(N)=O)c1ccccc1
Show InChI InChI=1S/C31H28N4O3/c1-31(22-8-3-2-4-9-22)17-27(35-26-13-11-20(28(32)33)16-25(26)31)19-7-5-6-18(14-19)23-12-10-21(29(34)36)15-24(23)30(37)38/h2-16,27,35H,17H2,1H3,(H3,32,33)(H2,34,36)(H,37,38)
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335n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50448581
PNG
(CHEMBL3127463)
Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)C1CC(C)(c2ccccc2)c2cc(ccc2N1)C(N)=N
Show InChI InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)
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340n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448592
PNG
(CHEMBL3127482)
Show SMILES CN(C)Cc1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O
Show InChI InChI=1S/C33H34N4O2/c1-33(25-10-5-4-6-11-25)19-30(36-29-15-13-24(31(34)35)18-28(29)33)23-9-7-8-22(17-23)26-14-12-21(20-37(2)3)16-27(26)32(38)39/h4-18,30,36H,19-20H2,1-3H3,(H3,34,35)(H,38,39)/t30-,33+/m0/s1
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466n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448591
PNG
(CHEMBL3127483)
Show SMILES CC(C)(C)NC(=O)c1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O
Show InChI InChI=1S/C35H36N4O3/c1-34(2,3)39-32(40)24-13-15-26(27(18-24)33(41)42)21-9-8-10-22(17-21)30-20-35(4,25-11-6-5-7-12-25)28-19-23(31(36)37)14-16-29(28)38-30/h5-19,30,38H,20H2,1-4H3,(H3,36,37)(H,39,40)(H,41,42)/t30-,35+/m0/s1
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540n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50448597
PNG
(CHEMBL3127477)
Show SMILES COC(=O)c1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O
Show InChI InChI=1S/C32H29N3O4/c1-32(23-9-4-3-5-10-23)18-28(35-27-14-12-21(29(33)34)17-26(27)32)20-8-6-7-19(15-20)24-13-11-22(31(38)39-2)16-25(24)30(36)37/h3-17,28,35H,18H2,1-2H3,(H3,33,34)(H,36,37)/t28-,32+/m0/s1
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606n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50448585
PNG
(CHEMBL3127489)
Show SMILES CCCC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)[C@@H]1C[C@](C)(c2ccccc2)c2cc(ccc2N1)C(N)=N
Show InChI InChI=1S/C35H35N5O4/c1-3-7-31(41)39-25-15-22(26-12-10-21(33(38)42)17-27(26)34(43)44)14-23(16-25)30-19-35(2,24-8-5-4-6-9-24)28-18-20(32(36)37)11-13-29(28)40-30/h4-6,8-18,30,40H,3,7,19H2,1-2H3,(H3,36,37)(H2,38,42)(H,39,41)(H,43,44)/t30-,35+/m0/s1
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641n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50448583
PNG
(CHEMBL3127491)
Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)[C@@H]1C[C@](C)(c2ccccc2)c2cc(ccc2N1)C(N)=N
Show InChI InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)/t31-,36+/m0/s1
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784n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448604
PNG
(CHEMBL3127471)
Show SMILES CC[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C32H29N3O4/c1-2-32(23-9-4-3-5-10-23)18-28(35-27-14-12-21(29(33)34)17-26(27)32)20-8-6-7-19(15-20)24-13-11-22(30(36)37)16-25(24)31(38)39/h3-17,28,35H,2,18H2,1H3,(H3,33,34)(H,36,37)(H,38,39)/t28-,32+/m0/s1
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830n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50448584
PNG
(CHEMBL3127490)
Show SMILES C[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cc(NC(=O)C2CC2)cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)c1ccccc1
Show InChI InChI=1S/C35H33N5O4/c1-35(24-5-3-2-4-6-24)18-30(40-29-12-10-20(31(36)37)17-28(29)35)23-13-22(14-25(15-23)39-33(42)19-7-8-19)26-11-9-21(32(38)41)16-27(26)34(43)44/h2-6,9-17,19,30,40H,7-8,18H2,1H3,(H3,36,37)(H2,38,41)(H,39,42)(H,43,44)/t30-,35+/m0/s1
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880n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50448581
PNG
(CHEMBL3127463)
Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)C1CC(C)(c2ccccc2)c2cc(ccc2N1)C(N)=N
Show InChI InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)
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910n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human plasmin assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50448608
PNG
(CHEMBL3127466)
Show SMILES NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1ccccc1-c1ccc(cc1C(O)=O)C(O)=O
Show InChI InChI=1S/C30H25N3O4/c31-28(32)18-11-13-26-24(14-18)23(17-6-2-1-3-7-17)16-27(33-26)22-9-5-4-8-20(22)21-12-10-19(29(34)35)15-25(21)30(36)37/h1-15,23,27,33H,16H2,(H3,31,32)(H,34,35)(H,36,37)/t23-,27+/m1/s1
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970n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50448610
PNG
(CHEMBL3127464)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1[C@@H]1C[C@H](c2ccccc2)c2cc(ccc2N1)C(N)=N
Show InChI InChI=1S/C34H34N4O3/c1-20(2)19-37-33(39)23-12-14-25(29(17-23)34(40)41)24-10-6-7-11-26(24)31-18-27(21-8-4-3-5-9-21)28-16-22(32(35)36)13-15-30(28)38-31/h3-17,20,27,31,38H,18-19H2,1-2H3,(H3,35,36)(H,37,39)(H,40,41)/t27-,31+/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50448601
PNG
(CHEMBL3127474)
Show SMILES CNC(=O)Nc1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O
Show InChI InChI=1S/C32H31N5O3/c1-32(22-9-4-3-5-10-22)18-28(37-27-14-11-21(29(33)34)16-26(27)32)20-8-6-7-19(15-20)24-13-12-23(36-31(40)35-2)17-25(24)30(38)39/h3-17,28,37H,18H2,1-2H3,(H3,33,34)(H,38,39)(H2,35,36,40)/t28-,32+/m0/s1
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1.14E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50448593
PNG
(CHEMBL3127481)
Show SMILES CC(C)NC(=O)c1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O
Show InChI InChI=1S/C34H34N4O3/c1-20(2)37-32(39)24-12-14-26(27(17-24)33(40)41)21-8-7-9-22(16-21)30-19-34(3,25-10-5-4-6-11-25)28-18-23(31(35)36)13-15-29(28)38-30/h4-18,20,30,38H,19H2,1-3H3,(H3,35,36)(H,37,39)(H,40,41)/t30-,34+/m0/s1
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1.31E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50448586
PNG
(CHEMBL3127488)
Show SMILES CCC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)[C@@H]1C[C@](C)(c2ccccc2)c2cc(ccc2N1)C(N)=N
Show InChI InChI=1S/C34H33N5O4/c1-3-30(40)38-24-14-21(25-11-9-20(32(37)41)16-26(25)33(42)43)13-22(15-24)29-18-34(2,23-7-5-4-6-8-23)27-17-19(31(35)36)10-12-28(27)39-29/h4-17,29,39H,3,18H2,1-2H3,(H3,35,36)(H2,37,41)(H,38,40)(H,42,43)/t29-,34+/m0/s1
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1.48E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50448581
PNG
(CHEMBL3127463)
Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)C1CC(C)(c2ccccc2)c2cc(ccc2N1)C(N)=N
Show InChI InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)
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1.70E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human tPA assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50448587
PNG
(CHEMBL3127487)
Show SMILES CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)[C@@H]1C[C@](C)(c2ccccc2)c2cc(ccc2N1)C(N)=N
Show InChI InChI=1S/C33H31N5O4/c1-18(39)37-24-13-21(25-10-8-20(31(36)40)15-26(25)32(41)42)12-22(14-24)29-17-33(2,23-6-4-3-5-7-23)27-16-19(30(34)35)9-11-28(27)38-29/h3-16,29,38H,17H2,1-2H3,(H3,34,35)(H2,36,40)(H,37,39)(H,41,42)/t29-,33+/m0/s1
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1.81E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50448609
PNG
(CHEMBL3127465)
Show SMILES NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1ccccc1-c1ccccc1C(O)=O
Show InChI InChI=1S/C29H25N3O2/c30-28(31)19-14-15-26-25(16-19)24(18-8-2-1-3-9-18)17-27(32-26)22-12-6-4-10-20(22)21-11-5-7-13-23(21)29(33)34/h1-16,24,27,32H,17H2,(H3,30,31)(H,33,34)/t24-,27+/m1/s1
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1.94E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50448603
PNG
(CHEMBL3127472)
Show SMILES CCC[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C33H31N3O4/c1-2-15-33(24-9-4-3-5-10-24)19-29(36-28-14-12-22(30(34)35)18-27(28)33)21-8-6-7-20(16-21)25-13-11-23(31(37)38)17-26(25)32(39)40/h3-14,16-18,29,36H,2,15,19H2,1H3,(H3,34,35)(H,37,38)(H,39,40)/t29-,33+/m0/s1
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1.96E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
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