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Compile Data Set for Download or QSAR

Found 42 hits from Daiichi Asubio Medical Research Laboratories, LLC   
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))
BDBM50228760
PNG
((S)-2-((R)-2-(3-chlorophenyl)-2-hydroxyacetamido)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](O)c1cccc(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C22H29ClN6O4S/c1-12(2)16(29-20(33)17(30)13-5-3-6-14(23)11-13)19(32)28-15(7-4-8-27-22(24)25)18(31)21-26-9-10-34-21/h3,5-6,9-12,15-17,30H,4,7-8H2,1-2H3,(H,28,32)(H,29,33)(H4,24,25,27)/t15-,16-,17+/m0/s1
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n/an/a 116n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50228761
PNG
((S)-2-(2-(3-chlorophenyl)-2-oxoacetamido)-N-((S)-5...)
Show SMILES CC(C)[C@H](NC(=O)C(=O)c1cccc(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C22H27ClN6O4S/c1-12(2)16(29-20(33)17(30)13-5-3-6-14(23)11-13)19(32)28-15(7-4-8-27-22(24)25)18(31)21-26-9-10-34-21/h3,5-6,9-12,15-16H,4,7-8H2,1-2H3,(H,28,32)(H,29,33)(H4,24,25,27)/t15-,16-/m0/s1
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n/an/a 254n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183937
PNG
((S)-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-but...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](O)c1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C22H30N6O4S/c1-13(2)16(28-20(32)17(29)14-7-4-3-5-8-14)19(31)27-15(9-6-10-26-22(23)24)18(30)21-25-11-12-33-21/h3-5,7-8,11-13,15-17,29H,6,9-10H2,1-2H3,(H,27,31)(H,28,32)(H4,23,24,26)/t15-,16-,17+/m0/s1
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n/an/a 425n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183938
PNG
((S)-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-but...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C22H30N6O4S/c1-13(2)16(28-20(32)17(29)14-7-4-3-5-8-14)19(31)27-15(9-6-10-26-22(23)24)18(30)21-25-11-12-33-21/h3-5,7-8,11-13,15-17,29H,6,9-10H2,1-2H3,(H,27,31)(H,28,32)(H4,23,24,26)/t15-,16-,17-/m0/s1
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n/an/a 431n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50228762
PNG
((S)-2-[3-(3,4-dichloro-benzyl)-ureido]-N-[(S)-4-gu...)
Show SMILES CC(C)[C@H](NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C22H29Cl2N7O3S/c1-12(2)17(31-22(34)29-11-13-5-6-14(23)15(24)10-13)19(33)30-16(4-3-7-28-21(25)26)18(32)20-27-8-9-35-20/h5-6,8-10,12,16-17H,3-4,7,11H2,1-2H3,(H,30,33)(H4,25,26,28)(H2,29,31,34)/t16-,17-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50228758
PNG
((S)-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-but...)
Show SMILES CC(C)[C@H](NC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C15H25N7O3S/c1-8(2)10(22-15(18)25)12(24)21-9(4-3-5-20-14(16)17)11(23)13-19-6-7-26-13/h6-10H,3-5H2,1-2H3,(H,21,24)(H4,16,17,20)(H3,18,22,25)/t9-,10-/m0/s1
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n/an/a 502n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183925
PNG
((S)-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-but...)
Show SMILES CC(C)[C@H](NC(=O)N[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C25H41N7O3S/c1-13(2)19(32-24(35)31-18-12-15-11-16(14(18)3)25(15,4)5)21(34)30-17(7-6-8-29-23(26)27)20(33)22-28-9-10-36-22/h9-10,13-19H,6-8,11-12H2,1-5H3,(H,30,34)(H4,26,27,29)(H2,31,32,35)/t14-,15+,16-,17+,18-,19+/m1/s1
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n/an/a 713n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183934
PNG
((S)-2-[(R)-2-(2-chloro-phenyl)-2-hydroxy-acetylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](O)c1ccccc1Cl)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C22H29ClN6O4S/c1-12(2)16(29-20(33)17(30)13-6-3-4-7-14(13)23)19(32)28-15(8-5-9-27-22(24)25)18(31)21-26-10-11-34-21/h3-4,6-7,10-12,15-17,30H,5,8-9H2,1-2H3,(H,28,32)(H,29,33)(H4,24,25,27)/t15-,16-,17+/m0/s1
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n/an/a 790n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50228892
PNG
(4-methyl-pentanoic acid {(S)-1-[(S)-4-guanidino-1-...)
Show SMILES CC(C)CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C20H34N6O3S/c1-12(2)7-8-15(27)26-16(13(3)4)18(29)25-14(6-5-9-24-20(21)22)17(28)19-23-10-11-30-19/h10-14,16H,5-9H2,1-4H3,(H,25,29)(H,26,27)(H4,21,22,24)/t14-,16-/m0/s1
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n/an/a 850n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183924
PNG
((S)-2-[(R)-2-(3-fluoro-phenyl)-2-hydroxy-acetylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](O)c1cccc(F)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C22H29FN6O4S/c1-12(2)16(29-20(33)17(30)13-5-3-6-14(23)11-13)19(32)28-15(7-4-8-27-22(24)25)18(31)21-26-9-10-34-21/h3,5-6,9-12,15-17,30H,4,7-8H2,1-2H3,(H,28,32)(H,29,33)(H4,24,25,27)/t15-,16-,17+/m0/s1
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n/an/a 956n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183946
PNG
((S)-2-{3-[(R)-1-(4-bromo-phenyl)-ethyl]-ureido}-N-...)
Show SMILES CC(C)[C@H](NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C23H32BrN7O3S/c1-13(2)18(31-23(34)29-14(3)15-6-8-16(24)9-7-15)20(33)30-17(5-4-10-28-22(25)26)19(32)21-27-11-12-35-21/h6-9,11-14,17-18H,4-5,10H2,1-3H3,(H,30,33)(H4,25,26,28)(H2,29,31,34)/t14-,17+,18+/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50192107
PNG
(CHEMBL211921 | pyridine-3-carboxylic acid guanidin...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)C(OC(=O)c1cccnc1)N=C(N)N
Show InChI InChI=1S/C20H25BN4O4/c1-19(2)20(3,4)29-21(28-19)15-9-7-13(8-10-15)16(25-18(22)23)27-17(26)14-6-5-11-24-12-14/h5-12,16H,1-4H3,(H4,22,23,25)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of f11a


Bioorg Med Chem Lett 16: 5022-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183943
PNG
((S)-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-but...)
Show SMILES CC(C)[C@H](NC(=O)N[C@H](C)c1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C23H33N7O3S/c1-14(2)18(30-23(33)28-15(3)16-8-5-4-6-9-16)20(32)29-17(10-7-11-27-22(24)25)19(31)21-26-12-13-34-21/h4-6,8-9,12-15,17-18H,7,10-11H2,1-3H3,(H,29,32)(H4,24,25,27)(H2,28,30,33)/t15-,17+,18+/m1/s1
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n/an/a 1.72E+3n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183942
PNG
((S)-2-((R)-2-amino-2-phenyl-acetylamino)-N-[(S)-4-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](N)c1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C22H31N7O3S/c1-13(2)17(29-19(31)16(23)14-7-4-3-5-8-14)20(32)28-15(9-6-10-27-22(24)25)18(30)21-26-11-12-33-21/h3-5,7-8,11-13,15-17H,6,9-10,23H2,1-2H3,(H,28,32)(H,29,31)(H4,24,25,27)/t15-,16+,17-/m0/s1
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n/an/a 1.75E+3n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183933
PNG
(CHEMBL210731 | naphthalene-1-carboxylic acid [(S)-...)
Show SMILES NC(N)=NCCC[C@H](NC(=O)c1cccc2ccccc12)C(=O)c1nccs1
Show InChI InChI=1S/C20H21N5O2S/c21-20(22)24-10-4-9-16(17(26)19-23-11-12-28-19)25-18(27)15-8-3-6-13-5-1-2-7-14(13)15/h1-3,5-8,11-12,16H,4,9-10H2,(H,25,27)(H4,21,22,24)/t16-/m0/s1
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n/an/a 2.25E+3n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183935
PNG
((S)-2-{3-[(R)-1-(4-fluoro-phenyl)-ethyl]-ureido}-N...)
Show SMILES CC(C)[C@H](NC(=O)N[C@H](C)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C23H32FN7O3S/c1-13(2)18(31-23(34)29-14(3)15-6-8-16(24)9-7-15)20(33)30-17(5-4-10-28-22(25)26)19(32)21-27-11-12-35-21/h6-9,11-14,17-18H,4-5,10H2,1-3H3,(H,30,33)(H4,25,26,28)(H2,29,31,34)/t14-,17+,18+/m1/s1
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n/an/a 2.32E+3n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183926
PNG
((S)-N-[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-but...)
Show SMILES CC(C)[C@H](NC(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C25H41N7O3S/c1-13(2)19(32-24(35)31-18-12-15-11-16(14(18)3)25(15,4)5)21(34)30-17(7-6-8-29-23(26)27)20(33)22-28-9-10-36-22/h9-10,13-19H,6-8,11-12H2,1-5H3,(H,30,34)(H4,26,27,29)(H2,31,32,35)/t14-,15+,16-,17-,18-,19-/m0/s1
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n/an/a 3.31E+3n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50192102
PNG
(CHEMBL213434 | N-[4-(4,4,5,5-tetramethyl-[1,3,2]di...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)N=C(N)N
Show InChI InChI=1S/C13H20BN3O2/c1-12(2)13(3,4)19-14(18-12)9-5-7-10(8-6-9)17-11(15)16/h5-8H,1-4H3,(H4,15,16,17)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 5022-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183931
PNG
(6-fluoro-4H-benzo[1,3]dioxine-8-carboxylic acid [(...)
Show SMILES NC(N)=NCCC[C@H](NC(=O)c1cc(F)cc2COCOc12)C(=O)c1nccs1
Show InChI InChI=1S/C18H20FN5O4S/c19-11-6-10-8-27-9-28-15(10)12(7-11)16(26)24-13(2-1-3-23-18(20)21)14(25)17-22-4-5-29-17/h4-7,13H,1-3,8-9H2,(H,24,26)(H4,20,21,23)/t13-/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50192102
PNG
(CHEMBL213434 | N-[4-(4,4,5,5-tetramethyl-[1,3,2]di...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)N=C(N)N
Show InChI InChI=1S/C13H20BN3O2/c1-12(2)13(3,4)19-14(18-12)9-5-7-10(8-6-9)17-11(15)16/h5-8H,1-4H3,(H4,15,16,17)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of f11a


Bioorg Med Chem Lett 16: 5022-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183941
PNG
((S)-N*4*-(3,4-dichloro-benzyl)-N*1*-[(S)-4-guanidi...)
Show SMILES CC(C)[C@H](CC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C23H30Cl2N6O3S/c1-13(2)15(11-19(32)30-12-14-5-6-16(24)17(25)10-14)21(34)31-18(4-3-7-29-23(26)27)20(33)22-28-8-9-35-22/h5-6,8-10,13,15,18H,3-4,7,11-12H2,1-2H3,(H,30,32)(H,31,34)(H4,26,27,29)/t15-,18-/m0/s1
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n/an/a 6.22E+3n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50192106
PNG
(CHEMBL215750 | N-{2-[4-(4,4,5,5-tetramethyl-[1,3,2...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(CCN=C(N)N)cc1
Show InChI InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-7-5-11(6-8-12)9-10-19-13(17)18/h5-8H,9-10H2,1-4H3,(H4,17,18,19)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of f11a


Bioorg Med Chem Lett 16: 5022-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50192107
PNG
(CHEMBL211921 | pyridine-3-carboxylic acid guanidin...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)C(OC(=O)c1cccnc1)N=C(N)N
Show InChI InChI=1S/C20H25BN4O4/c1-19(2)20(3,4)29-21(28-19)15-9-7-13(8-10-15)16(25-18(22)23)27-17(26)14-6-5-11-24-12-14/h5-12,16H,1-4H3,(H4,22,23,25)
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n/an/a 1.23E+4n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 5022-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183932
PNG
((S)-2-{3-[(S)-1-(4-bromo-phenyl)-ethyl]-ureido}-N-...)
Show SMILES CC(C)[C@H](NC(=O)N[C@@H](C)c1ccc(Br)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C23H32BrN7O3S/c1-13(2)18(31-23(34)29-14(3)15-6-8-16(24)9-7-15)20(33)30-17(5-4-10-28-22(25)26)19(32)21-27-11-12-35-21/h6-9,11-14,17-18H,4-5,10H2,1-3H3,(H,30,33)(H4,25,26,28)(H2,29,31,34)/t14-,17-,18-/m0/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50192105
PNG
(1-{[4-(dihydroxyboranyl)phenyl]methyl}guanidine; 2...)
Show SMILES NC(N)=NCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C8H12BN3O2/c10-8(11)12-5-6-1-3-7(4-2-6)9(13)14/h1-4,13-14H,5H2,(H4,10,11,12)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of f11a


Bioorg Med Chem Lett 16: 5022-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50192103
PNG
(CHEMBL384180 | N-[4-(4,4,5,5-tetramethyl-[1,3,2]di...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(CN=C(N)N)cc1
Show InChI InChI=1S/C14H22BN3O2/c1-13(2)14(3,4)20-15(19-13)11-7-5-10(6-8-11)9-18-12(16)17/h5-8H,9H2,1-4H3,(H4,16,17,18)
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n/an/a 2.47E+4n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of f11a


Bioorg Med Chem Lett 16: 5022-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50192106
PNG
(CHEMBL215750 | N-{2-[4-(4,4,5,5-tetramethyl-[1,3,2...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(CCN=C(N)N)cc1
Show InChI InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-7-5-11(6-8-12)9-10-19-13(17)18/h5-8H,9-10H2,1-4H3,(H4,17,18,19)
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n/an/a 3.08E+4n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 5022-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183927
PNG
(2-(3,4-dichloro-phenyl)-N-[(S)-4-guanidino-1-(thia...)
Show SMILES NC(N)=NCCC[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)c1nccs1
Show InChI InChI=1S/C17H19Cl2N5O2S/c18-11-4-3-10(8-12(11)19)9-14(25)24-13(2-1-5-23-17(20)21)15(26)16-22-6-7-27-16/h3-4,6-8,13H,1-2,5,9H2,(H,24,25)(H4,20,21,23)/t13-/m0/s1
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n/an/a 3.79E+4n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50192107
PNG
(CHEMBL211921 | pyridine-3-carboxylic acid guanidin...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)C(OC(=O)c1cccnc1)N=C(N)N
Show InChI InChI=1S/C20H25BN4O4/c1-19(2)20(3,4)29-21(28-19)15-9-7-13(8-10-15)16(25-18(22)23)27-17(26)14-6-5-11-24-12-14/h5-12,16H,1-4H3,(H4,22,23,25)
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n/an/a 4.36E+4n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of f10a


Bioorg Med Chem Lett 16: 5022-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50192108
PNG
(4-(aminomethyl)phenylboronic acid hydrochloride | ...)
Show SMILES NCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C7H10BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H,5,9H2
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n/an/a 7.73E+4n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of f11a


Bioorg Med Chem Lett 16: 5022-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183930
PNG
(CHEMBL207052 | naphthalene-2-sulfonic acid [(S)-4-...)
Show SMILES NC(N)=NCCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)c1nccs1
Show InChI InChI=1S/C19H21N5O3S2/c20-19(21)23-9-3-6-16(17(25)18-22-10-11-28-18)24-29(26,27)15-8-7-13-4-1-2-5-14(13)12-15/h1-2,4-5,7-8,10-12,16,24H,3,6,9H2,(H4,20,21,23)/t16-/m0/s1
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n/an/a 8.60E+4n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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n/an/a 1.20E+5n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of f11a


Bioorg Med Chem Lett 16: 5022-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183936
PNG
(CHEMBL380455 | N-[(S)-4-guanidino-1-(thiazole-2-ca...)
Show SMILES CC(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C14H23N5O2S/c1-9(2)8-11(20)19-10(4-3-5-18-14(15)16)12(21)13-17-6-7-22-13/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,20)(H4,15,16,18)/t10-/m0/s1
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n/an/a 1.23E+5n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50192102
PNG
(CHEMBL213434 | N-[4-(4,4,5,5-tetramethyl-[1,3,2]di...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)N=C(N)N
Show InChI InChI=1S/C13H20BN3O2/c1-12(2)13(3,4)19-14(18-12)9-5-7-10(8-6-9)17-11(15)16/h5-8H,1-4H3,(H4,15,16,17)
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n/an/a 1.29E+5n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of f10a


Bioorg Med Chem Lett 16: 5022-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50192103
PNG
(CHEMBL384180 | N-[4-(4,4,5,5-tetramethyl-[1,3,2]di...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(CN=C(N)N)cc1
Show InChI InChI=1S/C14H22BN3O2/c1-13(2)14(3,4)20-15(19-13)11-7-5-10(6-8-11)9-18-12(16)17/h5-8H,9H2,1-4H3,(H4,16,17,18)
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n/an/a 1.29E+5n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 5022-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50192105
PNG
(1-{[4-(dihydroxyboranyl)phenyl]methyl}guanidine; 2...)
Show SMILES NC(N)=NCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C8H12BN3O2/c10-8(11)12-5-6-1-3-7(4-2-6)9(13)14/h1-4,13-14H,5H2,(H4,10,11,12)
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n/an/a 1.46E+5n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 5022-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50192106
PNG
(CHEMBL215750 | N-{2-[4-(4,4,5,5-tetramethyl-[1,3,2...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(CCN=C(N)N)cc1
Show InChI InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-7-5-11(6-8-12)9-10-19-13(17)18/h5-8H,9-10H2,1-4H3,(H4,17,18,19)
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n/an/a 1.75E+5n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of f10a


Bioorg Med Chem Lett 16: 5022-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50192103
PNG
(CHEMBL384180 | N-[4-(4,4,5,5-tetramethyl-[1,3,2]di...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(CN=C(N)N)cc1
Show InChI InChI=1S/C14H22BN3O2/c1-13(2)14(3,4)20-15(19-13)11-7-5-10(6-8-11)9-18-12(16)17/h5-8H,9H2,1-4H3,(H4,16,17,18)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of f10a


Bioorg Med Chem Lett 16: 5022-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183944
PNG
(CHEMBL383007 | naphthalene-2-carboxylic acid [(S)-...)
Show SMILES NC(N)=NCCC[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)c1nccs1
Show InChI InChI=1S/C20H21N5O2S/c21-20(22)24-9-3-6-16(17(26)19-23-10-11-28-19)25-18(27)15-8-7-13-4-1-2-5-14(13)12-15/h1-2,4-5,7-8,10-12,16H,3,6,9H2,(H,25,27)(H4,21,22,24)/t16-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50192105
PNG
(1-{[4-(dihydroxyboranyl)phenyl]methyl}guanidine; 2...)
Show SMILES NC(N)=NCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C8H12BN3O2/c10-8(11)12-5-6-1-3-7(4-2-6)9(13)14/h1-4,13-14H,5H2,(H4,10,11,12)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of f10a


Bioorg Med Chem Lett 16: 5022-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183945
PNG
(CHEMBL378011 | N-[(S)-4-guanidino-1-(thiazole-2-ca...)
Show SMILES NC(N)=NCCC[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)c1nccs1
Show InChI InChI=1S/C21H23N5O2S/c22-21(23)25-10-4-9-17(19(28)20-24-11-12-29-20)26-18(27)13-15-7-3-6-14-5-1-2-8-16(14)15/h1-3,5-8,11-12,17H,4,9-10,13H2,(H,26,27)(H4,22,23,25)/t17-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50183928
PNG
(CHEMBL208645 | naphthalene-1-sulfonic acid [(S)-4-...)
Show SMILES NC(N)=NCCC[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)c1nccs1
Show InChI InChI=1S/C19H21N5O3S2/c20-19(21)23-10-4-8-15(17(25)18-22-11-12-28-18)24-29(26,27)16-9-3-6-13-5-1-2-7-14(13)16/h1-3,5-7,9,11-12,15,24H,4,8,10H2,(H4,20,21,23)/t15-/m0/s1
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n/an/a 2.50E+5n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of F11a


Bioorg Med Chem Lett 16: 3049-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.052
BindingDB Entry DOI: 10.7270/Q2X34X32
More data for this
Ligand-Target Pair