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26 similar compounds to monomer 50448582

Compile data set for download or QSAR
Wt: 587.6
BDBM50448584
Wt: 589.6
BDBM50448585
Wt: 575.6
BDBM50448586
Wt: 561.6
BDBM50448587
Wt: 519.5
BDBM50448588
Wt: 462.5
BDBM50448589
Wt: 504.5
BDBM50448590
Wt: 560.6
BDBM50448591
Wt: 518.6
BDBM50448592
Wt: 546.6
BDBM50448593
Wt: 518.6
BDBM50448594
Wt: 518.6
BDBM50448595
Wt: 461.5
BDBM50448596
Wt: 519.5
BDBM50448597
Wt: 476.5
BDBM50448598
Displayed 1 to 15 (of 26 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50448584,50448585,50448586,50448587,50448588,50448589,50448590,50448591,50448592,50448593,50448594,50448595,50448596,50448597,50448598   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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=1/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+/s2
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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))
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=1/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+/s2
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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=1/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+/s2
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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=1/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+/s2
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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=1/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+/s2
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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))
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=1/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+/s2
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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))
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=1/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-/s2
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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 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=1/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+/s2
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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))
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=1/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+/s2
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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
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=1/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+/s2
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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=1/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+/s2
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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=1/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+/s2
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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))
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=1/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+/s2
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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=1/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+/s2
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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))
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=1/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+/s2
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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=1/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+/s2
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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=1/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+/s2
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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=1/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+/s2
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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))
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=1/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+/s2
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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
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=1/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+/s2
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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=1/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+/s2
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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
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=1/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+/s2
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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))
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=1/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+/s2
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2.25E+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))
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=1/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+/s2
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3.98E+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))
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=1/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+/s2
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4.10E+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))
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=1/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+/s2
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5.81E+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))
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=1/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+/s2
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6.40E+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))
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=1/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+/s2
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6.70E+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))
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=1/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-/s2
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8.35E+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))
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=1/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+/s2
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>1.50E+4n/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