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PubMed code 25592713

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103208
PNG
(CHEMBL3393381)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:5.8,wD:2.1,11.11,(26.66,-34.02,;27.43,-35.36,;26.66,-36.68,;25.12,-36.68,;24.35,-38.02,;25.12,-39.35,;26.66,-39.35,;27.43,-38.02,;24.35,-40.69,;22.81,-40.69,;25.12,-42.02,;24.35,-43.36,;22.81,-43.36,;22.04,-44.69,;22.81,-46.02,;22.04,-47.35,;20.5,-47.35,;19.73,-46.02,;20.5,-44.69,;25.12,-44.69,;26.65,-44.85,;26.97,-46.36,;25.64,-47.13,;24.49,-46.1,;28.38,-46.98,;28.54,-48.51,;29.95,-49.15,;31.19,-48.24,;32.7,-48.56,;33.32,-49.96,;33.47,-47.22,;32.44,-46.08,;31.03,-46.71,;29.63,-46.08,)|
Show InChI InChI=1S/C26H29N7O/c27-14-17-6-8-18(9-7-17)26(34)31-22(12-16-4-2-1-3-5-16)25-29-15-23(30-25)19-10-11-20-21(13-19)32-33-24(20)28/h1-5,10-11,13,15,17-18,22H,6-9,12,14,27-28H2,(H,31,34)/b23-19-/t17-,18-,22-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103201
PNG
(CHEMBL3393388)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc(cc(=O)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-7.45,.91,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
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3.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103200
PNG
(CHEMBL3393386)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,11.12,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
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8.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103216
PNG
(CHEMBL3393373)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccccc1 |r,wU:5.8,11.12,wD:2.1,(3.74,.92,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-5.33,-3.09,;-5.47,-1.57,;-6.98,-1.25,;-7.75,-2.58,;-8.98,-2.71,;-6.72,-3.73,;-7.61,.16,;-9.12,.43,;-9.64,1.88,;-8.64,3.06,;-7.13,2.78,;-6.61,1.33,)|
Show InChI InChI=1S/C25H29ClN4O/c26-23-22(19-9-5-2-6-10-19)29-24(30-23)21(15-17-7-3-1-4-8-17)28-25(31)20-13-11-18(16-27)12-14-20/h1-10,18,20-21H,11-16,27H2,(H,28,31)(H,29,30)/t18-,20-,21-/m0/s1
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103204
PNG
(CHEMBL3393385)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103206
PNG
(CHEMBL3393383)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cccc(c1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,11.12,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-6.38,3.07,;-6.38,1.53,;-5.05,.76,;-3.71,1.53,;-3.72,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
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21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50103200
PNG
(CHEMBL3393386)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,11.12,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
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24n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103207
PNG
(CHEMBL3393382)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cccc(c1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-6.38,3.07,;-6.38,1.53,;-5.05,.76,;-3.71,1.53,;-3.72,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
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42n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50103200
PNG
(CHEMBL3393386)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,11.12,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
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64n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human trypsin


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103211
PNG
(CHEMBL3393378)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc(cc(O)n1)-c1ccccc1 |r,wU:5.8,wD:2.1,(3.74,.92,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-5.33,-3.09,;-5.33,-1.55,;-6.67,-.78,;-8,-1.55,;-8,-3.09,;-9.07,-3.71,;-6.67,-3.86,;-6.67,.76,;-8,1.53,;-8,3.07,;-6.66,3.84,;-5.33,3.07,;-5.33,1.53,)|
Show InChI InChI=1S/C27H31N3O2/c28-18-20-11-13-22(14-12-20)27(32)30-24(15-19-7-3-1-4-8-19)25-16-23(17-26(31)29-25)21-9-5-2-6-10-21/h1-10,16-17,20,22,24H,11-15,18,28H2,(H,29,31)(H,30,32)/t20-,22-,24?
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113n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103366
PNG
(CHEMBL3393362)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c[nH]1)-c1ccccc1 |r,wU:11.12,5.8,wD:2.1,(10.28,-12.71,;11.61,-13.48,;12.94,-12.72,;14.28,-13.49,;15.62,-12.73,;15.62,-11.18,;14.29,-10.41,;12.95,-11.18,;16.95,-10.41,;16.95,-8.87,;18.28,-11.18,;19.62,-10.41,;19.62,-8.87,;20.96,-8.1,;22.29,-8.88,;23.62,-8.11,;23.62,-6.57,;22.28,-5.8,;20.95,-6.57,;20.95,-11.18,;22.36,-10.56,;23.39,-11.7,;22.62,-13.04,;21.11,-12.71,;24.92,-11.54,;25.54,-10.13,;27.06,-9.97,;27.98,-11.22,;27.35,-12.63,;25.82,-12.79,)|
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120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103214
PNG
(CHEMBL3393375)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc(cc(Cl)n1)-c1ccccc1 |r,wU:5.8,wD:2.1,(3.74,.92,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-5.33,-3.09,;-5.33,-1.55,;-6.67,-.78,;-8,-1.55,;-8,-3.09,;-9.07,-3.71,;-6.67,-3.86,;-6.67,.76,;-8,1.53,;-8,3.07,;-6.66,3.84,;-5.33,3.07,;-5.33,1.53,)|
Show InChI InChI=1S/C27H30ClN3O/c28-26-17-23(21-9-5-2-6-10-21)16-25(30-26)24(15-19-7-3-1-4-8-19)31-27(32)22-13-11-20(18-29)12-14-22/h1-10,16-17,20,22,24H,11-15,18,29H2,(H,31,32)/t20-,22-,24?
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206n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103213
PNG
(CHEMBL3393376)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc(cc(N)n1)-c1ccccc1 |r,wU:5.8,wD:2.1,(3.74,.92,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-5.33,-3.09,;-5.33,-1.55,;-6.67,-.78,;-8,-1.55,;-8,-3.09,;-9.07,-3.71,;-6.67,-3.86,;-6.67,.76,;-8,1.53,;-8,3.07,;-6.66,3.84,;-5.33,3.07,;-5.33,1.53,)|
Show InChI InChI=1S/C27H32N4O/c28-18-20-11-13-22(14-12-20)27(32)31-24(15-19-7-3-1-4-8-19)25-16-23(17-26(29)30-25)21-9-5-2-6-10-21/h1-10,16-17,20,22,24H,11-15,18,28H2,(H2,29,30)(H,31,32)/t20-,22-,24?
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227n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103215
PNG
(CHEMBL3393374)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc(c(F)cn1)-c1ccccc1 |r,wU:5.8,wD:2.1,(3.74,.92,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-5.33,-3.09,;-5.33,-1.55,;-6.67,-.78,;-8,-1.55,;-9.07,-.93,;-8,-3.09,;-6.67,-3.86,;-6.67,.76,;-8,1.53,;-8,3.07,;-6.66,3.84,;-5.33,3.07,;-5.33,1.53,)|
Show InChI InChI=1S/C27H30FN3O/c28-24-18-30-25(16-23(24)21-9-5-2-6-10-21)26(15-19-7-3-1-4-8-19)31-27(32)22-13-11-20(17-29)12-14-22/h1-10,16,18,20,22,26H,11-15,17,29H2,(H,31,32)/t20-,22-,26?
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320n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103224
PNG
(CHEMBL3393365)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cncc(c1)-c1ccccc1 |r,wU:5.8,wD:2.1,(3.74,.92,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-5.33,-3.09,;-6.67,-3.86,;-8,-3.09,;-8,-1.55,;-6.67,-.78,;-5.33,-1.55,;-6.67,.76,;-8,1.53,;-8,3.07,;-6.66,3.84,;-5.33,3.07,;-5.33,1.53,)|
Show InChI InChI=1S/C27H31N3O/c28-17-21-11-13-23(14-12-21)27(31)30-26(15-20-7-3-1-4-8-20)25-16-24(18-29-19-25)22-9-5-2-6-10-22/h1-10,16,18-19,21,23,26H,11-15,17,28H2,(H,30,31)/t21-,23-,26?
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330n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103218
PNG
(CHEMBL3393371)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc(ncn1)-c1ccccc1 |r,wU:5.8,wD:2.1,(3.74,.92,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-5.33,-3.09,;-5.33,-1.55,;-6.67,-.78,;-8,-1.55,;-8,-3.09,;-6.67,-3.86,;-6.67,.76,;-8,1.53,;-8,3.07,;-6.66,3.84,;-5.33,3.07,;-5.33,1.53,)|
Show InChI InChI=1S/C26H30N4O/c27-17-20-11-13-22(14-12-20)26(31)30-25(15-19-7-3-1-4-8-19)24-16-23(28-18-29-24)21-9-5-2-6-10-21/h1-10,16,18,20,22,25H,11-15,17,27H2,(H,30,31)/t20-,22-,25?
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331n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103225
PNG
(CHEMBL3393364)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc(ccn1)-c1ccccc1 |r,wU:5.8,wD:2.1,(3.74,.92,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-5.33,-3.09,;-5.33,-1.55,;-6.67,-.78,;-8,-1.55,;-8,-3.09,;-6.67,-3.86,;-6.67,.76,;-8,1.53,;-8,3.07,;-6.66,3.84,;-5.33,3.07,;-5.33,1.53,)|
Show InChI InChI=1S/C27H31N3O/c28-19-21-11-13-23(14-12-21)27(31)30-26(17-20-7-3-1-4-8-20)25-18-24(15-16-29-25)22-9-5-2-6-10-22/h1-10,15-16,18,21,23,26H,11-14,17,19,28H2,(H,30,31)/t21-,23-,26?
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377n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103223
PNG
(CHEMBL3393366)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1ccnc(c1)-c1ccccc1 |r,wU:5.8,wD:2.1,(3.74,.92,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-5.33,-3.09,;-6.67,-3.86,;-8,-3.09,;-8,-1.55,;-6.67,-.78,;-5.33,-1.55,;-6.67,.76,;-8,1.53,;-8,3.07,;-6.66,3.84,;-5.33,3.07,;-5.33,1.53,)|
Show InChI InChI=1S/C27H31N3O/c28-19-21-11-13-23(14-12-21)27(31)30-26(17-20-7-3-1-4-8-20)24-15-16-29-25(18-24)22-9-5-2-6-10-22/h1-10,15-16,18,21,23,26H,11-14,17,19,28H2,(H,30,31)/t21-,23-,26?
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433n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103209
PNG
(CHEMBL3393380)
Show SMILES Cn1c(cc(cc1=O)-c1ccccc1)C(Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:25.27,wD:28.31,(-6.67,-4.89,;-6.67,-3.86,;-5.33,-3.09,;-5.33,-1.55,;-6.67,-.78,;-8,-1.55,;-8,-3.09,;-9.07,-3.71,;-6.67,.76,;-8,1.53,;-8,3.07,;-6.66,3.84,;-5.33,3.07,;-5.33,1.53,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-2.66,-3.08,;-2.67,-1.54,;-3.73,-.93,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;2.67,1.54,;3.74,.92,;1.33,-.77,;,-1.54,)|
Show InChI InChI=1S/C28H33N3O2/c1-31-26(17-24(18-27(31)32)22-10-6-3-7-11-22)25(16-20-8-4-2-5-9-20)30-28(33)23-14-12-21(19-29)13-15-23/h2-11,17-18,21,23,25H,12-16,19,29H2,1H3,(H,30,33)/t21-,23-,25?
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479n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103212
PNG
(CHEMBL3393377)
Show SMILES CNc1cc(cc(n1)C(Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1)-c1ccccc1 |r,wU:19.20,wD:22.24,(-10.4,-3.24,;-9.34,-3.86,;-8,-3.09,;-8,-1.55,;-6.67,-.78,;-5.33,-1.55,;-5.33,-3.09,;-6.67,-3.86,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-2.66,-3.08,;-2.67,-1.54,;-3.73,-.93,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;2.67,1.54,;3.74,.92,;1.33,-.77,;,-1.54,;-6.67,.76,;-8,1.53,;-8,3.07,;-6.66,3.84,;-5.33,3.07,;-5.33,1.53,)|
Show InChI InChI=1S/C28H34N4O/c1-30-27-18-24(22-10-6-3-7-11-22)17-26(31-27)25(16-20-8-4-2-5-9-20)32-28(33)23-14-12-21(19-29)13-15-23/h2-11,17-18,21,23,25H,12-16,19,29H2,1H3,(H,30,31)(H,32,33)/t21-,23-,25?
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860n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103217
PNG
(CHEMBL3393372)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cccc(c1)-c1ccccc1 |r,wU:5.8,wD:2.1,(3.74,.92,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-5.33,-3.09,;-6.67,-3.86,;-8,-3.09,;-8,-1.55,;-6.67,-.78,;-5.33,-1.55,;-6.67,.76,;-8,1.53,;-8,3.07,;-6.66,3.84,;-5.33,3.07,;-5.33,1.53,)|
Show InChI InChI=1S/C28H32N2O/c29-20-22-14-16-24(17-15-22)28(31)30-27(18-21-8-3-1-4-9-21)26-13-7-12-25(19-26)23-10-5-2-6-11-23/h1-13,19,22,24,27H,14-18,20,29H2,(H,30,31)/t22-,24-,27?
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936n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103210
PNG
(CHEMBL3393379)
Show SMILES COc1cc(cc(n1)C(Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1)-c1ccccc1 |r,wU:19.20,wD:22.24,(-10.4,-3.24,;-9.34,-3.86,;-8,-3.09,;-8,-1.55,;-6.67,-.78,;-5.33,-1.55,;-5.33,-3.09,;-6.67,-3.86,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-2.66,-3.08,;-2.67,-1.54,;-3.73,-.93,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;2.67,1.54,;3.74,.92,;1.33,-.77,;,-1.54,;-6.67,.76,;-8,1.53,;-8,3.07,;-6.66,3.84,;-5.33,3.07,;-5.33,1.53,)|
Show InChI InChI=1S/C28H33N3O2/c1-33-27-18-24(22-10-6-3-7-11-22)17-26(30-27)25(16-20-8-4-2-5-9-20)31-28(32)23-14-12-21(19-29)13-15-23/h2-11,17-18,21,23,25H,12-16,19,29H2,1H3,(H,31,32)/t21-,23-,25?
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949n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103221
PNG
(CHEMBL3393368)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc(c[n+]([O-])c1)-c1ccccc1 |r,wU:5.8,wD:2.1,(3.74,.92,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-5.33,-3.09,;-5.33,-1.55,;-6.67,-.78,;-8,-1.55,;-8,-3.09,;-9.07,-3.71,;-6.67,-3.86,;-6.67,.76,;-8,1.53,;-8,3.07,;-6.66,3.84,;-5.33,3.07,;-5.33,1.53,)|
Show InChI InChI=1S/C27H31N3O2/c28-17-21-11-13-23(14-12-21)27(31)29-26(15-20-7-3-1-4-8-20)25-16-24(18-30(32)19-25)22-9-5-2-6-10-22/h1-10,16,18-19,21,23,26H,11-15,17,28H2,(H,29,31)/t21-,23-,26?
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1.06E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103202
PNG
(CHEMBL3393387)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,11.12,wD:5.8,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
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1.07E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103222
PNG
(CHEMBL3393367)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc(cc[n+]1[O-])-c1ccccc1 |r,wU:5.8,wD:2.1,(3.74,.92,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-5.33,-3.09,;-5.33,-1.55,;-6.67,-.78,;-8,-1.55,;-8,-3.09,;-6.67,-3.86,;-6.67,-4.89,;-6.67,.76,;-8,1.53,;-8,3.07,;-6.66,3.84,;-5.33,3.07,;-5.33,1.53,)|
Show InChI InChI=1S/C27H31N3O2/c28-19-21-11-13-23(14-12-21)27(31)29-25(17-20-7-3-1-4-8-20)26-18-24(15-16-30(26)32)22-9-5-2-6-10-22/h1-10,15-16,18,21,23,25H,11-14,17,19,28H2,(H,29,31)/t21-,23-,25?
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1.69E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103220
PNG
(CHEMBL3393369)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc[n+]([O-])c(c1)-c1ccccc1 |r,wU:5.8,wD:2.1,(3.74,.92,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-5.33,-3.09,;-6.67,-3.86,;-8,-3.09,;-8,-1.55,;-9.07,-.93,;-6.67,-.78,;-5.33,-1.55,;-6.67,.76,;-8,1.53,;-8,3.07,;-6.66,3.84,;-5.33,3.07,;-5.33,1.53,)|
Show InChI InChI=1S/C27H31N3O2/c28-19-21-11-13-23(14-12-21)27(31)29-25(17-20-7-3-1-4-8-20)24-15-16-30(32)26(18-24)22-9-5-2-6-10-22/h1-10,15-16,18,21,23,25H,11-14,17,19,28H2,(H,29,31)/t21-,23-,25?
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2.53E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103205
PNG
(CHEMBL3393384)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@H](Cc1ccccc1)c1cccc(c1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,11.12,wD:5.8,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-6.38,3.07,;-6.38,1.53,;-5.05,.76,;-3.71,1.53,;-3.72,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
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6.16E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50103200
PNG
(CHEMBL3393386)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,11.12,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
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>9.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50103200
PNG
(CHEMBL3393386)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,11.12,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
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>1.09E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 7a


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103219
PNG
(CHEMBL3393370)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nccc(n1)-c1ccccc1 |r,wU:5.8,11.12,wD:2.1,(3.74,.92,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-5.33,-3.09,;-6.67,-3.86,;-8,-3.09,;-8,-1.55,;-6.67,-.78,;-5.33,-1.55,;-6.67,.76,;-8,1.53,;-8,3.07,;-6.66,3.84,;-5.33,3.07,;-5.33,1.53,)|
Show InChI InChI=1S/C26H30N4O/c27-18-20-11-13-22(14-12-20)26(31)30-24(17-19-7-3-1-4-8-19)25-28-16-15-23(29-25)21-9-5-2-6-10-21/h1-10,15-16,20,22,24H,11-14,17-18,27H2,(H,30,31)/t20-,22-,24-/m0/s1
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1.14E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50103200
PNG
(CHEMBL3393386)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,11.12,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
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>1.26E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50103200
PNG
(CHEMBL3393386)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,11.12,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
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>1.41E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human urokinase


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50103200
PNG
(CHEMBL3393386)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,11.12,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
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>2.14E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human activated protein C


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50103200
PNG
(CHEMBL3393386)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,11.12,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
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>2.19E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human TPA


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50103200
PNG
(CHEMBL3393386)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,11.12,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
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>2.21E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasmin


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50103365
PNG
(CHEMBL3393363)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cccc(n1)-c1ccccc1 |r,wU:5.8,wD:2.1,(3.74,.92,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-5.33,-3.09,;-6.67,-3.86,;-8,-3.09,;-8,-1.55,;-6.67,-.78,;-5.33,-1.55,;-6.67,.76,;-8,1.53,;-8,3.07,;-6.66,3.84,;-5.33,3.07,;-5.33,1.53,)|
Show InChI InChI=1S/C27H31N3O/c28-19-21-14-16-23(17-15-21)27(31)30-26(18-20-8-3-1-4-9-20)25-13-7-12-24(29-25)22-10-5-2-6-11-22/h1-13,21,23,26H,14-19,28H2,(H,30,31)/t21-,23-,26?
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3.02E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50103200
PNG
(CHEMBL3393386)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,11.12,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
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>3.49E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a


Bioorg Med Chem Lett 25: 925-30 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.050
BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%