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9 similar compounds to monomer 50112521

Compile data set for download or QSAR
Wt: 431.5
BDBM50112512
Wt: 433.5
BDBM50112513
Wt: 431.5
BDBM50112514
Wt: 447.5
BDBM50112517
Wt: 417.5
BDBM50112518
Wt: 417.5
BDBM50112525
Wt: 447.5
BDBM50112527
Wt: 417.5
BDBM50112528
Wt: 417.5
BDBM50112531

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50112512,50112513,50112514,50112517,50112518,50112525,50112527,50112528,50112531   
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 X


(Homo sapiens (Human))
BDBM50112518
PNG
(3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cccc(N)c1
Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-10-9-22(31-21-11-14-29(15-12-21)18(2)26)17-24(23)30(25)13-5-7-19-6-4-8-20(27)16-19/h4-10,16-17,21,26H,3,11-15,27H2,1-2H3
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0.0280n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112513
PNG
(4-Amino-2-(3-{2-ethyl-5-[1-(1-imino-ethyl)-piperid...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC=Cc1cc(N)ccc1O
Show InChI InChI=1S/C25H31N5O2/c1-3-25-28-22-16-21(32-20-10-13-29(14-11-20)17(2)26)7-8-23(22)30(25)12-4-5-18-15-19(27)6-9-24(18)31/h4-9,15-16,20,26,31H,3,10-14,27H2,1-2H3
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0.100n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112514
PNG
(3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC(C)=Cc1cccc(N)c1
Show InChI InChI=1S/C26H33N5O/c1-4-26-29-24-16-23(32-22-10-12-30(13-11-22)19(3)27)8-9-25(24)31(26)17-18(2)14-20-6-5-7-21(28)15-20/h5-9,14-16,22,27H,4,10-13,17,28H2,1-3H3
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0.310n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112528
PNG
(3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC=Cc1cccc(N)c1
Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-17-22(31-21-11-14-29(15-12-21)18(2)26)9-10-24(23)30(25)13-5-7-19-6-4-8-20(27)16-19/h4-10,16-17,21,26H,3,11-15,27H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112512
PNG
(3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC(C)=Cc1cccc(N)c1
Show InChI InChI=1S/C26H33N5O/c1-4-26-29-24-9-8-23(32-22-10-12-30(13-11-22)19(3)27)16-25(24)31(26)17-18(2)14-20-6-5-7-21(28)15-20/h5-9,14-16,22,27H,4,10-13,17,28H2,1-3H3
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1.30n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50112514
PNG
(3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC(C)=Cc1cccc(N)c1
Show InChI InChI=1S/C26H33N5O/c1-4-26-29-24-16-23(32-22-10-12-30(13-11-22)19(3)27)8-9-25(24)31(26)17-18(2)14-20-6-5-7-21(28)15-20/h5-9,14-16,22,27H,4,10-13,17,28H2,1-3H3
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6.90n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against trypsin (Trp)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112517
PNG
(3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cc(N)ccc1OC
Show InChI InChI=1S/C26H33N5O2/c1-4-26-29-23-9-8-22(33-21-11-14-30(15-12-21)18(2)27)17-24(23)31(26)13-5-6-19-16-20(28)7-10-25(19)32-3/h5-10,16-17,21,27H,4,11-15,28H2,1-3H3
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13n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50112518
PNG
(3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cccc(N)c1
Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-10-9-22(31-21-11-14-29(15-12-21)18(2)26)17-24(23)30(25)13-5-7-19-6-4-8-20(27)16-19/h4-10,16-17,21,26H,3,11-15,27H2,1-2H3
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21n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against trypsin (Trp)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50112528
PNG
(3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC=Cc1cccc(N)c1
Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-17-22(31-21-11-14-29(15-12-21)18(2)26)9-10-24(23)30(25)13-5-7-19-6-4-8-20(27)16-19/h4-10,16-17,21,26H,3,11-15,27H2,1-2H3
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32n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against trypsin (Trp)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112527
PNG
(3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC=Cc1cc(N)ccc1OC
Show InChI InChI=1S/C26H33N5O2/c1-4-26-29-23-17-22(33-21-11-14-30(15-12-21)18(2)27)8-9-24(23)31(26)13-5-6-19-16-20(28)7-10-25(19)32-3/h5-10,16-17,21,27H,4,11-15,28H2,1-3H3
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58n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112531
PNG
(4-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1C\C=C\c1ccc(N)cc1
Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-11-10-22(31-21-12-15-29(16-13-21)18(2)26)17-24(23)30(25)14-4-5-19-6-8-20(27)9-7-19/h4-11,17,21,26H,3,12-16,27H2,1-2H3/b5-4+,26-18?
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64n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50112512
PNG
(3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC(C)=Cc1cccc(N)c1
Show InChI InChI=1S/C26H33N5O/c1-4-26-29-24-9-8-23(32-22-10-12-30(13-11-22)19(3)27)16-25(24)31(26)17-18(2)14-20-6-5-7-21(28)15-20/h5-9,14-16,22,27H,4,10-13,17,28H2,1-3H3
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73n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against trypsin (Trp)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112525
PNG
(4-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1C\C=C\c1ccc(N)cc1
Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-17-22(31-21-12-15-29(16-13-21)18(2)26)10-11-24(23)30(25)14-4-5-19-6-8-20(27)9-7-19/h4-11,17,21,26H,3,12-16,27H2,1-2H3/b5-4+,26-18?
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74n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50112513
PNG
(4-Amino-2-(3-{2-ethyl-5-[1-(1-imino-ethyl)-piperid...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC=Cc1cc(N)ccc1O
Show InChI InChI=1S/C25H31N5O2/c1-3-25-28-22-16-21(32-20-10-13-29(14-11-20)17(2)26)7-8-23(22)30(25)12-4-5-18-15-19(27)6-9-24(18)31/h4-9,15-16,20,26,31H,3,10-14,27H2,1-2H3
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120n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against trypsin (Trp)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50112517
PNG
(3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cc(N)ccc1OC
Show InChI InChI=1S/C26H33N5O2/c1-4-26-29-23-9-8-22(33-21-11-14-30(15-12-21)18(2)27)17-24(23)31(26)13-5-6-19-16-20(28)7-10-25(19)32-3/h5-10,16-17,21,27H,4,11-15,28H2,1-3H3
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130n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against trypsin (Trp)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50112518
PNG
(3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cccc(N)c1
Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-10-9-22(31-21-11-14-29(15-12-21)18(2)26)17-24(23)30(25)13-5-7-19-6-4-8-20(27)16-19/h4-10,16-17,21,26H,3,11-15,27H2,1-2H3
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200n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against thrombin (IIa)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50112531
PNG
(4-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1C\C=C\c1ccc(N)cc1
Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-11-10-22(31-21-12-15-29(16-13-21)18(2)26)17-24(23)30(25)14-4-5-19-6-8-20(27)9-7-19/h4-11,17,21,26H,3,12-16,27H2,1-2H3/b5-4+,26-18?
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320n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against trypsin (Trp)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50112525
PNG
(4-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1C\C=C\c1ccc(N)cc1
Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-17-22(31-21-12-15-29(16-13-21)18(2)26)10-11-24(23)30(25)14-4-5-19-6-8-20(27)9-7-19/h4-11,17,21,26H,3,12-16,27H2,1-2H3/b5-4+,26-18?
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350n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against trypsin (Trp)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50112512
PNG
(3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC(C)=Cc1cccc(N)c1
Show InChI InChI=1S/C26H33N5O/c1-4-26-29-24-9-8-23(32-22-10-12-30(13-11-22)19(3)27)16-25(24)31(26)17-18(2)14-20-6-5-7-21(28)15-20/h5-9,14-16,22,27H,4,10-13,17,28H2,1-3H3
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380n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against thrombin (IIa)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50112527
PNG
(3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC=Cc1cc(N)ccc1OC
Show InChI InChI=1S/C26H33N5O2/c1-4-26-29-23-17-22(33-21-11-14-30(15-12-21)18(2)27)8-9-24(23)31(26)13-5-6-19-16-20(28)7-10-25(19)32-3/h5-10,16-17,21,27H,4,11-15,28H2,1-3H3
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410n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against trypsin (Trp)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50112513
PNG
(4-Amino-2-(3-{2-ethyl-5-[1-(1-imino-ethyl)-piperid...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC=Cc1cc(N)ccc1O
Show InChI InChI=1S/C25H31N5O2/c1-3-25-28-22-16-21(32-20-10-13-29(14-11-20)17(2)26)7-8-23(22)30(25)12-4-5-18-15-19(27)6-9-24(18)31/h4-9,15-16,20,26,31H,3,10-14,27H2,1-2H3
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610n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against thrombin (IIa)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50112528
PNG
(3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC=Cc1cccc(N)c1
Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-17-22(31-21-11-14-29(15-12-21)18(2)26)9-10-24(23)30(25)13-5-7-19-6-4-8-20(27)16-19/h4-10,16-17,21,26H,3,11-15,27H2,1-2H3
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870n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against thrombin (IIa)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50112531
PNG
(4-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1C\C=C\c1ccc(N)cc1
Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-11-10-22(31-21-12-15-29(16-13-21)18(2)26)17-24(23)30(25)14-4-5-19-6-8-20(27)9-7-19/h4-11,17,21,26H,3,12-16,27H2,1-2H3/b5-4+,26-18?
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880n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against thrombin (IIa)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50112525
PNG
(4-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1C\C=C\c1ccc(N)cc1
Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-17-22(31-21-12-15-29(16-13-21)18(2)26)10-11-24(23)30(25)14-4-5-19-6-8-20(27)9-7-19/h4-11,17,21,26H,3,12-16,27H2,1-2H3/b5-4+,26-18?
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2.50E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against thrombin (IIa)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50112517
PNG
(3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cc(N)ccc1OC
Show InChI InChI=1S/C26H33N5O2/c1-4-26-29-23-9-8-22(33-21-11-14-30(15-12-21)18(2)27)17-24(23)31(26)13-5-6-19-16-20(28)7-10-25(19)32-3/h5-10,16-17,21,27H,4,11-15,28H2,1-3H3
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2.60E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against thrombin (IIa)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50112514
PNG
(3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC(C)=Cc1cccc(N)c1
Show InChI InChI=1S/C26H33N5O/c1-4-26-29-24-16-23(32-22-10-12-30(13-11-22)19(3)27)8-9-25(24)31(26)17-18(2)14-20-6-5-7-21(28)15-20/h5-9,14-16,22,27H,4,10-13,17,28H2,1-3H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against thrombin (IIa)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50112527
PNG
(3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC=Cc1cc(N)ccc1OC
Show InChI InChI=1S/C26H33N5O2/c1-4-26-29-23-17-22(33-21-11-14-30(15-12-21)18(2)27)8-9-24(23)31(26)13-5-6-19-16-20(28)7-10-25(19)32-3/h5-10,16-17,21,27H,4,11-15,28H2,1-3H3
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5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against thrombin (IIa)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair