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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50037389   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292202
PNG
(CHEMBL382542 | N-(2-Aminomethyl-5-chloro-benzyl)-2...)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)Cc1c(ccc(NCC(F)(F)c2ccccn2)[n+]1[O-])C#N
Show InChI InChI=1S/C23H21ClF2N6O2/c24-18-6-4-15(11-27)17(9-18)13-30-22(33)10-19-16(12-28)5-7-21(32(19)34)31-14-23(25,26)20-3-1-2-8-29-20/h1-9,31H,10-11,13-14,27H2,(H,30,33)
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0.00100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292203
PNG
(CHEMBL196030 | N-(5-Chloro-2-tetrazol-1-yl-benzyl)...)
Show SMILES ON1C(CCC(C#N)=C1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1)=NCC(F)(F)c1ccccn1 |w:26.29,c:7|
Show InChI InChI=1S/C23H20ClF2N9O2/c24-17-5-6-18(34-14-31-32-33-34)16(9-17)12-29-22(36)10-19-15(11-27)4-7-21(35(19)37)30-13-23(25,26)20-3-1-2-8-28-20/h1-3,5-6,8-9,14,37H,4,7,10,12-13H2,(H,29,36)
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0.00200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292196
PNG
(CHEMBL195366 | N-(2-Aminomethyl-5-chloro-benzyl)-2...)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)Cc1cccc(NCC(F)(F)c2ccccn2)[n+]1[O-]
Show InChI InChI=1S/C22H22ClF2N5O2/c23-17-8-7-15(12-26)16(10-17)13-28-21(31)11-18-4-3-6-20(30(18)32)29-14-22(24,25)19-5-1-2-9-27-19/h1-10,29H,11-14,26H2,(H,28,31)
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0.0400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292200
PNG
(2-[3-Chloro-6-(2,2-difluoro-2-pyridin-2-yl-ethylam...)
Show SMILES ON1C(CCC(Cl)=C1CC(=O)NCc1cc(Cl)ccc1-n1cncn1)=NCC(F)(F)c1ccccn1 |w:25.28,c:6|
Show InChI InChI=1S/C23H21Cl2F2N7O2/c24-16-4-6-18(33-14-28-13-32-33)15(9-16)11-30-22(35)10-19-17(25)5-7-21(34(19)36)31-12-23(26,27)20-3-1-2-8-29-20/h1-4,6,8-9,13-14,36H,5,7,10-12H2,(H,30,35)
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0.0500n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292189
PNG
(2-[2-(3-Chloro-benzylamino)-2-hydroxy-ethyl]-6-(2,...)
Show SMILES OC(Cc1c(ccc(NCC(F)(F)c2ccccn2)[n+]1[O-])C#N)NCc1cccc(Cl)c1
Show InChI InChI=1S/C22H20ClF2N5O2/c23-17-5-3-4-15(10-17)13-28-21(31)11-18-16(12-26)7-8-20(30(18)32)29-14-22(24,25)19-6-1-2-9-27-19/h1-10,21,28-29,31H,11,13-14H2
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0.0800n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292201
PNG
(CHEMBL372367 | N-(5-Chloro-2-tetrazol-1-yl-benzyl)...)
Show SMILES ON1C(CC(=O)NCc2cc(Cl)ccc2-n2cnnn2)=CCCC1=NCC(F)(F)c1ccccn1 |w:24.27,c:21|
Show InChI InChI=1S/C22H21ClF2N8O2/c23-16-7-8-18(32-14-29-30-31-32)15(10-16)12-27-21(34)11-17-4-3-6-20(33(17)35)28-13-22(24,25)19-5-1-2-9-26-19/h1-2,4-5,7-10,14,35H,3,6,11-13H2,(H,27,34)
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0.140n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292187
PNG
(2-[3-Cyano-6-(2,2-difluoro-2-pyridin-2-yl-ethylami...)
Show SMILES ON1C(CCC(C#N)=C1CC(=O)NCc1ncccc1-n1cncn1)=NCC(F)(F)c1ccccn1 |w:25.28,c:7|
Show InChI InChI=1S/C23H21F2N9O2/c24-23(25,20-5-1-2-8-29-20)13-31-21-7-6-16(11-26)19(34(21)36)10-22(35)30-12-17-18(4-3-9-28-17)33-15-27-14-32-33/h1-5,8-9,14-15,36H,6-7,10,12-13H2,(H,30,35)
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0.230n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292195
PNG
(CHEMBL373270 | N-(2-Aminomethyl-benzyl)-2-[3-chlor...)
Show SMILES NCc1ccccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-]
Show InChI InChI=1S/C22H22ClF2N5O2/c23-17-8-9-20(29-14-22(24,25)19-7-3-4-10-27-19)30(32)18(17)11-21(31)28-13-16-6-2-1-5-15(16)12-26/h1-10,29H,11-14,26H2,(H,28,31)
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292192
PNG
(1-(3-Chloro-benzylamino)-2-[3-chloro-6-(2,2-difluo...)
Show SMILES OC(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-])NCc1cccc(Cl)c1
Show InChI InChI=1S/C21H20Cl2F2N4O2/c22-15-5-3-4-14(10-15)12-27-20(30)11-17-16(23)7-8-19(29(17)31)28-13-21(24,25)18-6-1-2-9-26-18/h1-10,20,27-28,30H,11-13H2
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0.420n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292186
PNG
(CHEMBL197464 | N-[2-((R)-1-Amino-ethyl)-5-chloro-b...)
Show SMILES C[C@@H](N)c1ccc(Cl)cc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-]
Show InChI InChI=1S/C23H23Cl2F2N5O2/c1-14(28)17-6-5-16(24)10-15(17)12-30-22(33)11-19-18(25)7-8-21(32(19)34)31-13-23(26,27)20-4-2-3-9-29-20/h2-10,14,31H,11-13,28H2,1H3,(H,30,33)/t14-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292205
PNG
(CHEMBL195313 | N-[1-(2-Aminomethyl-5-chloro-phenyl...)
Show SMILES NCc1ccc(Cl)cc1C(CO)NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-]
Show InChI InChI=1S/C23H23Cl2F2N5O3/c24-15-5-4-14(11-28)16(9-15)18(12-33)31-22(34)10-19-17(25)6-7-21(32(19)35)30-13-23(26,27)20-3-1-2-8-29-20/h1-9,18,30,33H,10-13,28H2,(H,31,34)
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0.480n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292184
PNG
(2-[3-Cyano-6-(2,2-difluoro-2-pyridin-2-yl-ethylami...)
Show SMILES [O-][n+]1c(NCC(F)(F)c2ccccn2)ccc(C#N)c1CC(=O)NCc1ncccc1F
Show InChI InChI=1S/C21H17F3N6O2/c22-15-4-3-9-26-16(15)12-28-20(31)10-17-14(11-25)6-7-19(30(17)32)29-13-21(23,24)18-5-1-2-8-27-18/h1-9,29H,10,12-13H2,(H,28,31)
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1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292197
PNG
(CHEMBL197141 | N-(5-Chloro-2-[1,2,4]triazol-1-yl-b...)
Show SMILES ON1C(CC(=O)NCc2cc(Cl)ccc2-n2cncn2)=CCCC1=NCC(F)(F)c1ccccn1 |w:24.27,c:21|
Show InChI InChI=1S/C23H22ClF2N7O2/c24-17-7-8-19(32-15-27-14-31-32)16(10-17)12-29-22(34)11-18-4-3-6-21(33(18)35)30-13-23(25,26)20-5-1-2-9-28-20/h1-2,4-5,7-10,14-15,35H,3,6,11-13H2,(H,29,34)
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1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292188
PNG
(2-[3-Chloro-6-(2,2-difluoro-2-pyridin-2-yl-ethylam...)
Show SMILES ON1C(CCC(Cl)=C1CC(=O)NCc1ncccc1-n1cncn1)=NCC(F)(F)c1ccccn1 |w:24.27,c:6|
Show InChI InChI=1S/C22H21ClF2N8O2/c23-15-6-7-20(30-12-22(24,25)19-5-1-2-8-28-19)33(35)18(15)10-21(34)29-11-16-17(4-3-9-27-16)32-14-26-13-31-32/h1-5,8-9,13-14,35H,6-7,10-12H2,(H,29,34)
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2.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292182
PNG
(2-[3-Chloro-6-(2,2-difluoro-2-pyridin-2-yl-ethylam...)
Show SMILES On1c(CC(=O)NCc2ccccc2-n2cncn2)c(Cl)cc\c1=N/CC(F)(F)c1ccccn1
Show InChI InChI=1S/C23H20ClF2N7O2/c24-17-8-9-21(30-13-23(25,26)20-7-3-4-10-28-20)33(35)19(17)11-22(34)29-12-16-5-1-2-6-18(16)32-15-27-14-31-32/h1-10,14-15,35H,11-13H2,(H,29,34)/b30-21+
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2.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292191
PNG
(CHEMBL193688 | N-[1-(2-Aminomethyl-5-chloro-phenyl...)
Show SMILES C[C@H](NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-])c1cc(Cl)ccc1CN
Show InChI InChI=1S/C23H23Cl2F2N5O2/c1-14(17-10-16(24)6-5-15(17)12-28)31-22(33)11-19-18(25)7-8-21(32(19)34)30-13-23(26,27)20-4-2-3-9-29-20/h2-10,14,30H,11-13,28H2,1H3,(H,31,33)/t14-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50123494
PNG
(2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylam...)
Show SMILES Fc1cccnc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O
Show InChI InChI=1S/C19H16ClF3N6O2/c20-15-9-27-17(28-11-19(22,23)14-5-1-2-6-25-14)18(31)29(15)10-16(30)26-8-13-12(21)4-3-7-24-13/h1-7,9H,8,10-11H2,(H,26,30)(H,27,28)
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5.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292199
PNG
(2-[3-Chloro-6-(2,2-difluoro-2-pyridin-2-yl-ethylam...)
Show SMILES [O-][n+]1c(NCC(F)(F)c2ccccn2)ccc(Cl)c1CC(=O)NCc1ncccc1F
Show InChI InChI=1S/C20H17ClF3N5O2/c21-13-6-7-18(28-12-20(23,24)17-5-1-2-8-26-17)29(31)16(13)10-19(30)27-11-15-14(22)4-3-9-25-15/h1-9,28H,10-12H2,(H,27,30)
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6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292198
PNG
(2-(6-Amino-3-cyano-1-oxy-pyridin-2-yl)-N-(2-aminom...)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)Cc1c(ccc(N)[n+]1[O-])C#N
Show InChI InChI=1S/C16H16ClN5O2/c17-13-3-1-10(7-18)12(5-13)9-21-16(23)6-14-11(8-19)2-4-15(20)22(14)24/h1-5H,6-7,9,18,20H2,(H,21,23)
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10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292183
PNG
(2-(6-Amino-3-cyano-1-oxy-pyridin-2-yl)-N-(5-chloro...)
Show SMILES ON1C(=N)CCC(C#N)=C1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1 |c:8|
Show InChI InChI=1S/C16H15ClN8O2/c17-12-2-3-13(24-9-21-22-23-24)11(5-12)8-20-16(26)6-14-10(7-18)1-4-15(19)25(14)27/h2-3,5,9,19,27H,1,4,6,8H2,(H,20,26)
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18n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292194
PNG
(CHEMBL193814 | N-[2-((S)-1-Amino-ethyl)-5-chloro-b...)
Show SMILES C[C@H](N)c1ccc(Cl)cc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-]
Show InChI InChI=1S/C23H23Cl2F2N5O2/c1-14(28)17-6-5-16(24)10-15(17)12-30-22(33)11-19-18(25)7-8-21(32(19)34)31-13-23(26,27)20-4-2-3-9-29-20/h2-10,14,31H,11-13,28H2,1H3,(H,30,33)/t14-/m0/s1
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20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292193
PNG
(2-(6-Amino-3-chloro-1-oxy-pyridin-2-yl)-N-(2-amino...)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)Cc1c(Cl)ccc(N)[n+]1[O-]
Show InChI InChI=1S/C15H16Cl2N4O2/c16-11-2-1-9(7-18)10(5-11)8-20-15(22)6-13-12(17)3-4-14(19)21(13)23/h1-5H,6-8,18-19H2,(H,20,22)
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26n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292190
PNG
(2-(6-Amino-3-chloro-1-oxy-pyridin-2-yl)-N-(5-chlor...)
Show SMILES ON1C(=N)CCC(Cl)=C1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1 |c:7|
Show InChI InChI=1S/C15H15Cl2N7O2/c16-10-1-3-12(23-8-20-21-22-23)9(5-10)7-19-15(25)6-13-11(17)2-4-14(18)24(13)26/h1,3,5,8,18,26H,2,4,6-7H2,(H,19,25)
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140n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292204
PNG
(CHEMBL196455 | N-Benzyl-2-[3-cyano-6-(2,2-difluoro...)
Show SMILES [O-][n+]1c(NCC(F)(F)c2ccccn2)ccc(C#N)c1CC(=O)NCc1ccccc1
Show InChI InChI=1S/C22H19F2N5O2/c23-22(24,19-8-4-5-11-26-19)15-28-20-10-9-17(13-25)18(29(20)31)12-21(30)27-14-16-6-2-1-3-7-16/h1-11,28H,12,14-15H2,(H,27,30)
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150n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292185
PNG
(CHEMBL197504 | N-[1-(2-Aminomethyl-5-chloro-phenyl...)
Show SMILES C[C@@H](NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-])c1cc(Cl)ccc1CN
Show InChI InChI=1S/C23H23Cl2F2N5O2/c1-14(17-10-16(24)6-5-15(17)12-28)31-22(33)11-19-18(25)7-8-21(32(19)34)30-13-23(26,27)20-4-2-3-9-29-20/h2-10,14,30H,11-13,28H2,1H3,(H,31,33)/t14-/m1/s1
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260n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair