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Compile Data Set for Download or QSAR

Found 259 hits with Last Name = 'dallas' and Initial = 'jl'   
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 X


(Homo sapiens (Human))
BDBM50088963
PNG
(7-{6-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-isopr...)
Show SMILES CC(C)c1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C29H34N6O/c1-18(2)29-33-26-9-8-25(36-24-10-12-34(13-11-24)19(3)30)16-27(26)35(29)17-20-4-5-21-6-7-22(28(31)32)15-23(21)14-20/h4-9,14-16,18,24,30H,10-13,17H2,1-3H3,(H3,31,32)
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0.0260n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088944
PNG
(7-{2-tert-Butyl-6-[1-(1-imino-ethyl)-piperidin-4-y...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2nc(n(Cc3ccc4ccc(cc4c3)C(N)=N)c2c1)C(C)(C)C
Show InChI InChI=1S/C30H36N6O/c1-19(31)35-13-11-24(12-14-35)37-25-9-10-26-27(17-25)36(29(34-26)30(2,3)4)18-20-5-6-21-7-8-22(28(32)33)16-23(21)15-20/h5-10,15-17,24,31H,11-14,18H2,1-4H3,(H3,32,33)
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0.0460n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088951
PNG
(7-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy]...)
Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C28H32N6O/c1-3-27-32-25-9-8-24(35-23-10-12-33(13-11-23)18(2)29)16-26(25)34(27)17-19-4-5-20-6-7-21(28(30)31)15-22(20)14-19/h4-9,14-16,23,29H,3,10-13,17H2,1-2H3,(H3,30,31)
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0.0870n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17284
PNG
(2-{[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-diflu...)
Show SMILES CN(CC(O)=O)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F
Show InChI InChI=1S/C25H24F2N6O5/c1-32-9-8-30-23(32)14-4-3-5-15(10-14)37-24-19(26)21(33(2)12-18(35)36)20(27)25(31-24)38-17-11-13(22(28)29)6-7-16(17)34/h3-7,10-11,34H,8-9,12H2,1-2H3,(H3,28,29)(H,35,36)
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0.110n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibition of human coagulation factor Xa (Xa) in a purified enzyme system.


J Med Chem 42: 5415-25 (2000)


Article DOI: 10.1021/jm990456v
BindingDB Entry DOI: 10.7270/Q2TT4Q5S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50088954
PNG
(7-{2-sec-Butyl-6-[1-(1-imino-ethyl)-piperidin-4-yl...)
Show SMILES CCC(C)c1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C30H36N6O/c1-4-19(2)30-34-27-10-9-26(37-25-11-13-35(14-12-25)20(3)31)17-28(27)36(30)18-21-5-6-22-7-8-23(29(32)33)16-24(22)15-21/h5-10,15-17,19,25,31H,4,11-14,18H2,1-3H3,(H3,32,33)
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0.120n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088942
PNG
(7-{2-Butyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy]...)
Show SMILES CCCCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C30H36N6O/c1-3-4-5-29-34-27-11-10-26(37-25-12-14-35(15-13-25)20(2)31)18-28(27)36(29)19-21-6-7-22-8-9-23(30(32)33)17-24(22)16-21/h6-11,16-18,25,31H,3-5,12-15,19H2,1-2H3,(H3,32,33)
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0.230n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088952
PNG
(7-{6-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-propy...)
Show SMILES CCCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C29H34N6O/c1-3-4-28-33-26-10-9-25(36-24-11-13-34(14-12-24)19(2)30)17-27(26)35(28)18-20-5-6-21-7-8-22(29(31)32)16-23(21)15-20/h5-10,15-17,24,30H,3-4,11-14,18H2,1-2H3,(H3,31,32)
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0.230n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17282
PNG
(7-({6-[(1-ethanimidoylpiperidin-4-yl)oxy]-2-methyl...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2nc(C)n(Cc3ccc4ccc(cc4c3)C(N)=N)c2c1
Show InChI InChI=1S/C27H30N6O/c1-17(28)32-11-9-23(10-12-32)34-24-7-8-25-26(15-24)33(18(2)31-25)16-19-3-4-20-5-6-21(27(29)30)14-22(20)13-19/h3-8,13-15,23,28H,9-12,16H2,1-2H3,(H3,29,30)
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0.270n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088933
PNG
(CHEMBL172532 | {[3-(7-Carbamimidoyl-naphthalen-2-y...)
Show SMILES COC(=O)CN(C1CCN(CC1)C(C)=N)c1ccc2nc(C)n(Cc3ccc4ccc(cc4c3)C(N)=N)c2c1
Show InChI InChI=1S/C30H35N7O2/c1-19(31)35-12-10-25(11-13-35)37(18-29(38)39-3)26-8-9-27-28(16-26)36(20(2)34-27)17-21-4-5-22-6-7-23(30(32)33)15-24(22)14-21/h4-9,14-16,25,31H,10-13,17-18H2,1-3H3,(H3,32,33)
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0.300n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088955
PNG
(2-{[3-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-2-me...)
Show SMILES CC(=N)N1CCC(CC1)N(CC(N)=O)c1ccc2nc(C)n(Cc3ccc4ccc(cc4c3)C(N)=N)c2c1
Show InChI InChI=1S/C29H34N8O/c1-18(30)35-11-9-24(10-12-35)37(17-28(31)38)25-7-8-26-27(15-25)36(19(2)34-26)16-20-3-4-21-5-6-22(29(32)33)14-23(21)13-20/h3-8,13-15,24,30H,9-12,16-17H2,1-2H3,(H2,31,38)(H3,32,33)
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0.460n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17277
PNG
((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Show SMILES NC(=N)c1ccc(\C=C2\CCCC\C(=C\c3ccc(cc3)C(N)=N)C2=O)cc1
Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13-,20-14-
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0.660n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against Human Coagulation factor X


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17277
PNG
((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Show SMILES NC(=N)c1ccc(\C=C2\CCCC\C(=C\c3ccc(cc3)C(N)=N)C2=O)cc1
Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13-,20-14-
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0.660n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibition of human coagulation factor Xa (Xa) in a purified enzyme system.


J Med Chem 42: 5415-25 (2000)


Article DOI: 10.1021/jm990456v
BindingDB Entry DOI: 10.7270/Q2TT4Q5S
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088953
PNG
(3-{1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-6-[1-...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2nc(CCC(N)=O)n(Cc3ccc4ccc(cc4c3)C(N)=N)c2c1
Show InChI InChI=1S/C29H33N7O2/c1-18(30)35-12-10-23(11-13-35)38-24-6-7-25-26(16-24)36(28(34-25)9-8-27(31)37)17-19-2-3-20-4-5-21(29(32)33)15-22(20)14-19/h2-7,14-16,23,30H,8-13,17H2,1H3,(H2,31,37)(H3,32,33)
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1n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088959
PNG
(3-{[3-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-2-me...)
Show SMILES COC(=O)C(C)CN(C1CCN(CC1)C(C)=N)c1ccc2nc(C)n(Cc3ccc4ccc(cc4c3)C(N)=N)c2c1
Show InChI InChI=1S/C32H39N7O2/c1-20(32(40)41-4)18-39(27-11-13-37(14-12-27)21(2)33)28-9-10-29-30(17-28)38(22(3)36-29)19-23-5-6-24-7-8-25(31(34)35)16-26(24)15-23/h5-10,15-17,20,27,33H,11-14,18-19H2,1-4H3,(H3,34,35)
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1.10n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088956
PNG
(3-{1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-6-[1-...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2nc(CCC(O)=O)n(Cc3ccc4ccc(cc4c3)C(N)=N)c2c1
Show InChI InChI=1S/C29H32N6O3/c1-18(30)34-12-10-23(11-13-34)38-24-6-7-25-26(16-24)35(27(33-25)8-9-28(36)37)17-19-2-3-20-4-5-21(29(31)32)15-22(20)14-19/h2-7,14-16,23,30H,8-13,17H2,1H3,(H3,31,32)(H,36,37)
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1.30n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088941
PNG
(7-{2-tert-Butyl-5-[1-(1-imino-ethyl)-piperidin-4-y...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C30H36N6O/c1-19(31)35-13-11-24(12-14-35)37-25-9-10-27-26(17-25)34-29(30(2,3)4)36(27)18-20-5-6-21-7-8-22(28(32)33)16-23(21)15-20/h5-10,15-17,24,31H,11-14,18H2,1-4H3,(H3,32,33)
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2n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088947
PNG
(7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-isopr...)
Show SMILES CC(C)c1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C29H34N6O/c1-18(2)29-33-26-16-25(36-24-10-12-34(13-11-24)19(3)30)8-9-27(26)35(29)17-20-4-5-21-6-7-22(28(31)32)15-23(21)14-20/h4-9,14-16,18,24,30H,10-13,17H2,1-3H3,(H3,31,32)
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2n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50084175
PNG
(3,5-Bis-[1-(4-carbamimidoyl-phenyl)-meth-(Z)-ylide...)
Show SMILES CCOC(=O)N1C\C(=C\c2ccc(cc2)C(N)=N)C(=O)\C(C1)=C/c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H25N5O3/c1-2-32-24(31)29-13-19(11-15-3-7-17(8-4-15)22(25)26)21(30)20(14-29)12-16-5-9-18(10-6-16)23(27)28/h3-12H,2,13-14H2,1H3,(H3,25,26)(H3,27,28)/b19-11-,20-12-
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2.5n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibition of human coagulation factor Xa (Xa) in a purified enzyme system.


J Med Chem 42: 5415-25 (2000)


Article DOI: 10.1021/jm990456v
BindingDB Entry DOI: 10.7270/Q2TT4Q5S
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088939
PNG
(7-{2-Butyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]...)
Show SMILES CCCCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C30H36N6O/c1-3-4-5-29-34-27-18-26(37-25-12-14-35(15-13-25)20(2)31)10-11-28(27)36(29)19-21-6-7-22-8-9-23(30(32)33)17-24(22)16-21/h6-11,16-18,25,31H,3-5,12-15,19H2,1-2H3,(H3,32,33)
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2.80n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50084186
PNG
(2,9-di[1-[4-amino(imino)methylphenyl]-(Z)-methylid...)
Show SMILES NC(=N)c1ccc(\C=C2\CCCCCC\C(=C\c3ccc(cc3)C(N)=N)C2=O)cc1
Show InChI InChI=1S/C25H28N4O/c26-24(27)19-11-7-17(8-12-19)15-21-5-3-1-2-4-6-22(23(21)30)16-18-9-13-20(14-10-18)25(28)29/h7-16H,1-6H2,(H3,26,27)(H3,28,29)/b21-15-,22-16-
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2.80n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibition of human coagulation factor Xa (Xa) in a purified enzyme system.


J Med Chem 42: 5415-25 (2000)


Article DOI: 10.1021/jm990456v
BindingDB Entry DOI: 10.7270/Q2TT4Q5S
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088960
PNG
(7-{6-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-benzoim...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2ncn(Cc3ccc4ccc(cc4c3)C(N)=N)c2c1
Show InChI InChI=1S/C26H28N6O/c1-17(27)31-10-8-22(9-11-31)33-23-6-7-24-25(14-23)32(16-30-24)15-18-2-3-19-4-5-20(26(28)29)13-21(19)12-18/h2-7,12-14,16,22,27H,8-11,15H2,1H3,(H3,28,29)
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2.90n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088936
PNG
(3-{[3-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-2-me...)
Show SMILES CC(CN(C1CCN(CC1)C(C)=N)c1ccc2nc(C)n(Cc3ccc4ccc(cc4c3)C(N)=N)c2c1)C(O)=O
Show InChI InChI=1S/C31H37N7O2/c1-19(31(39)40)17-38(26-10-12-36(13-11-26)20(2)32)27-8-9-28-29(16-27)37(21(3)35-28)18-22-4-5-23-6-7-24(30(33)34)15-25(23)14-22/h4-9,14-16,19,26,32H,10-13,17-18H2,1-3H3,(H3,33,34)(H,39,40)
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3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088949
PNG
(7-{2-sec-Butyl-5-[1-(1-imino-ethyl)-piperidin-4-yl...)
Show SMILES CCC(C)c1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C30H36N6O/c1-4-19(2)30-34-27-17-26(37-25-11-13-35(14-12-25)20(3)31)9-10-28(27)36(30)18-21-5-6-22-7-8-23(29(32)33)16-24(22)15-21/h5-10,15-17,19,25,31H,4,11-14,18H2,1-3H3,(H3,32,33)
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3.30n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088958
PNG
(3-{1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-5-[1-...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(CCC(N)=O)nc2c1
Show InChI InChI=1S/C29H33N7O2/c1-18(30)35-12-10-23(11-13-35)38-24-6-7-26-25(16-24)34-28(9-8-27(31)37)36(26)17-19-2-3-20-4-5-21(29(32)33)15-22(20)14-19/h2-7,14-16,23,30H,8-13,17H2,1H3,(H2,31,37)(H3,32,33)
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3.60n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088957
PNG
(7-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]...)
Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C28H32N6O/c1-3-27-32-25-16-24(35-23-10-12-33(13-11-23)18(2)29)8-9-26(25)34(27)17-19-4-5-20-6-7-21(28(30)31)15-22(20)14-19/h4-9,14-16,23,29H,3,10-13,17H2,1-2H3,(H3,30,31)
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4n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50088953
PNG
(3-{1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-6-[1-...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2nc(CCC(N)=O)n(Cc3ccc4ccc(cc4c3)C(N)=N)c2c1
Show InChI InChI=1S/C29H33N7O2/c1-18(30)35-12-10-23(11-13-35)38-24-6-7-25-26(16-24)36(28(34-25)9-8-27(31)37)17-19-2-3-20-4-5-21(29(32)33)15-22(20)14-19/h2-7,14-16,23,30H,8-13,17H2,1H3,(H2,31,37)(H3,32,33)
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4.40n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine cationic trypsin


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088945
PNG
(7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-propy...)
Show SMILES CCCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C29H34N6O/c1-3-4-28-33-26-17-25(36-24-11-13-34(14-12-24)19(2)30)9-10-27(26)35(28)18-20-5-6-21-7-8-22(29(31)32)16-23(21)15-20/h5-10,15-17,24,30H,3-4,11-14,18H2,1-2H3,(H3,31,32)
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4.5n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50084174
PNG
(2,8-di[1-[4-amino(imino)methylphenyl]-(Z)-methylid...)
Show SMILES NC(=N)c1ccc(\C=C2\CCCCC\C(=C\c3ccc(cc3)C(N)=N)C2=O)cc1
Show InChI InChI=1S/C24H26N4O/c25-23(26)18-10-6-16(7-11-18)14-20-4-2-1-3-5-21(22(20)29)15-17-8-12-19(13-9-17)24(27)28/h6-15H,1-5H2,(H3,25,26)(H3,27,28)/b20-14-,21-15-
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4.60n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibition of human coagulation factor Xa (Xa) in a purified enzyme system.


J Med Chem 42: 5415-25 (2000)


Article DOI: 10.1021/jm990456v
BindingDB Entry DOI: 10.7270/Q2TT4Q5S
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50084192
PNG
(3,5-Bis-[1-(4-carbamimidoyl-phenyl)-meth-(Z)-ylide...)
Show SMILES COC(=O)C1C\C(=C\c2ccc(cc2)C(N)=N)C(=O)\C(C1)=C/c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H24N4O3/c1-31-24(30)20-12-18(10-14-2-6-16(7-3-14)22(25)26)21(29)19(13-20)11-15-4-8-17(9-5-15)23(27)28/h2-11,20H,12-13H2,1H3,(H3,25,26)(H3,27,28)/b18-10-,19-11-
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4.80n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibition of human coagulation factor Xa (Xa) in a purified enzyme system.


J Med Chem 42: 5415-25 (2000)


Article DOI: 10.1021/jm990456v
BindingDB Entry DOI: 10.7270/Q2TT4Q5S
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50084163
PNG
(2,6-di[1-[4-amino(imino)methylphenyl]-(Z)-methylid...)
Show SMILES NC(=N)c1ccc(\C=C2\CC(C\C(=C\c3ccc(cc3)C(N)=N)C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C28H26N4O/c29-27(30)21-10-6-18(7-11-21)14-24-16-23(20-4-2-1-3-5-20)17-25(26(24)33)15-19-8-12-22(13-9-19)28(31)32/h1-15,23H,16-17H2,(H3,29,30)(H3,31,32)/b24-14-,25-15-
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5.20n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibition of human coagulation factor Xa (Xa) in a purified enzyme system.


J Med Chem 42: 5415-25 (2000)


Article DOI: 10.1021/jm990456v
BindingDB Entry DOI: 10.7270/Q2TT4Q5S
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066616
PNG
((Z,Z)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...)
Show SMILES NC(=N)c1cccc(\C=C2\CCCC\C(=C\c3cccc(c3)C(N)=N)C2=O)c1
Show InChI InChI=1S/C23H24N4O/c24-22(25)19-9-3-5-15(13-19)11-17-7-1-2-8-18(21(17)28)12-16-6-4-10-20(14-16)23(26)27/h3-6,9-14H,1-2,7-8H2,(H3,24,25)(H3,26,27)/b17-11-,18-12-
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5.60n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibition of human coagulation factor Xa (Xa) in a purified enzyme system.


J Med Chem 42: 5415-25 (2000)


Article DOI: 10.1021/jm990456v
BindingDB Entry DOI: 10.7270/Q2TT4Q5S
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066616
PNG
((Z,Z)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...)
Show SMILES NC(=N)c1cccc(\C=C2\CCCC\C(=C\c3cccc(c3)C(N)=N)C2=O)c1
Show InChI InChI=1S/C23H24N4O/c24-22(25)19-9-3-5-15(13-19)11-17-7-1-2-8-18(21(17)28)12-16-6-4-10-20(14-16)23(26)27/h3-6,9-14H,1-2,7-8H2,(H3,24,25)(H3,26,27)/b17-11-,18-12-
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5.60n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against Human Coagulation factor X


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50088942
PNG
(7-{2-Butyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy]...)
Show SMILES CCCCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C30H36N6O/c1-3-4-5-29-34-27-11-10-26(37-25-12-14-35(15-13-25)20(2)31)18-28(27)36(29)19-21-6-7-22-8-9-23(30(32)33)17-24(22)16-21/h6-11,16-18,25,31H,3-5,12-15,19H2,1-2H3,(H3,32,33)
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5.70n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine cationic trypsin


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50088963
PNG
(7-{6-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-isopr...)
Show SMILES CC(C)c1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C29H34N6O/c1-18(2)29-33-26-9-8-25(36-24-10-12-34(13-11-24)19(3)30)16-27(26)35(29)17-20-4-5-21-6-7-22(28(31)32)15-23(21)14-20/h4-9,14-16,18,24,30H,10-13,17H2,1-3H3,(H3,31,32)
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5.70n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine cationic trypsin


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088946
PNG
(3-{1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-5-[1-...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(CCC(O)=O)nc2c1
Show InChI InChI=1S/C29H32N6O3/c1-18(30)34-12-10-23(11-13-34)38-24-6-7-26-25(16-24)33-27(8-9-28(36)37)35(26)17-19-2-3-20-4-5-21(29(31)32)15-22(20)14-19/h2-7,14-16,23,30H,8-13,17H2,1H3,(H3,31,32)(H,36,37)
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5.90n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088938
PNG
(7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-methy...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(C)nc2c1
Show InChI InChI=1S/C27H30N6O/c1-17(28)32-11-9-23(10-12-32)34-24-7-8-26-25(15-24)31-18(2)33(26)16-19-3-4-20-5-6-21(27(29)30)14-22(20)13-19/h3-8,13-15,23,28H,9-12,16H2,1-2H3,(H3,29,30)
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6.20n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50088943
PNG
(7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-benzoim...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)cnc2c1
Show InChI InChI=1S/C26H28N6O/c1-17(27)31-10-8-22(9-11-31)33-23-6-7-25-24(14-23)30-16-32(25)15-18-2-3-19-4-5-20(26(28)29)13-21(19)12-18/h2-7,12-14,16,22,27H,8-11,15H2,1H3,(H3,28,29)
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6.30n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50088952
PNG
(7-{6-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-propy...)
Show SMILES CCCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C29H34N6O/c1-3-4-28-33-26-10-9-25(36-24-11-13-34(14-12-24)19(2)30)17-27(26)35(28)18-20-5-6-21-7-8-22(29(31)32)16-23(21)15-20/h5-10,15-17,24,30H,3-4,11-14,18H2,1-2H3,(H3,31,32)
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6.80n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine cationic trypsin


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50084170
PNG
(3,5-Bis-[1-(4-carbamimidoyl-phenyl)-meth-(Z)-ylide...)
Show SMILES NC(=N)c1ccc(\C=C2\CC(C\C(=C\c3ccc(cc3)C(N)=N)C2=O)C(O)=O)cc1
Show InChI InChI=1S/C23H22N4O3/c24-21(25)15-5-1-13(2-6-15)9-17-11-19(23(29)30)12-18(20(17)28)10-14-3-7-16(8-4-14)22(26)27/h1-10,19H,11-12H2,(H3,24,25)(H3,26,27)(H,29,30)/b17-9-,18-10-
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6.90n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibition of human coagulation factor Xa (Xa) in a purified enzyme system.


J Med Chem 42: 5415-25 (2000)


Article DOI: 10.1021/jm990456v
BindingDB Entry DOI: 10.7270/Q2TT4Q5S
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50088944
PNG
(7-{2-tert-Butyl-6-[1-(1-imino-ethyl)-piperidin-4-y...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2nc(n(Cc3ccc4ccc(cc4c3)C(N)=N)c2c1)C(C)(C)C
Show InChI InChI=1S/C30H36N6O/c1-19(31)35-13-11-24(12-14-35)37-25-9-10-26-27(17-25)36(29(34-26)30(2,3)4)18-20-5-6-21-7-8-22(28(32)33)16-23(21)15-20/h5-10,15-17,24,31H,11-14,18H2,1-4H3,(H3,32,33)
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7n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine cationic trypsin


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50088935
PNG
(CHEMBL355097 | {[1-(7-Carbamimidoyl-naphthalen-2-y...)
Show SMILES COC(=O)CN(C1CCN(CC1)C(C)=N)c1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(C)nc2c1
Show InChI InChI=1S/C30H35N7O2/c1-19(31)35-12-10-25(11-13-35)37(18-29(38)39-3)26-8-9-28-27(16-26)34-20(2)36(28)17-21-4-5-22-6-7-23(30(32)33)15-24(22)14-21/h4-9,14-16,25,31H,10-13,17-18H2,1-3H3,(H3,32,33)
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7.60n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine cationic trypsin


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50088951
PNG
(7-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy]...)
Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C28H32N6O/c1-3-27-32-25-9-8-24(35-23-10-12-33(13-11-23)18(2)29)16-26(25)34(27)17-19-4-5-20-6-7-21(28(30)31)15-22(20)14-19/h4-9,14-16,23,29H,3,10-13,17H2,1-2H3,(H3,30,31)
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7.70n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine cationic trypsin


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50088943
PNG
(7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-benzoim...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)cnc2c1
Show InChI InChI=1S/C26H28N6O/c1-17(27)31-10-8-22(9-11-31)33-23-6-7-25-24(14-23)30-16-32(25)15-18-2-3-19-4-5-20(26(28)29)13-21(19)12-18/h2-7,12-14,16,22,27H,8-11,15H2,1H3,(H3,28,29)
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8.20n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine cationic trypsin


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50088958
PNG
(3-{1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-5-[1-...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(CCC(N)=O)nc2c1
Show InChI InChI=1S/C29H33N7O2/c1-18(30)35-12-10-23(11-13-35)38-24-6-7-26-25(16-24)34-28(9-8-27(31)37)36(26)17-19-2-3-20-4-5-21(29(32)33)15-22(20)14-19/h2-7,14-16,23,30H,8-13,17H2,1H3,(H2,31,37)(H3,32,33)
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10n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine cationic trypsin


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50088954
PNG
(7-{2-sec-Butyl-6-[1-(1-imino-ethyl)-piperidin-4-yl...)
Show SMILES CCC(C)c1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C30H36N6O/c1-4-19(2)30-34-27-10-9-26(37-25-11-13-35(14-12-25)20(3)31)17-28(27)36(30)18-21-5-6-22-7-8-23(29(32)33)16-24(22)15-21/h5-10,15-17,19,25,31H,4,11-14,18H2,1-3H3,(H3,32,33)
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10n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine cationic trypsin


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50088933
PNG
(CHEMBL172532 | {[3-(7-Carbamimidoyl-naphthalen-2-y...)
Show SMILES COC(=O)CN(C1CCN(CC1)C(C)=N)c1ccc2nc(C)n(Cc3ccc4ccc(cc4c3)C(N)=N)c2c1
Show InChI InChI=1S/C30H35N7O2/c1-19(31)35-12-10-25(11-13-35)37(18-29(38)39-3)26-8-9-27-28(16-26)36(20(2)34-27)17-21-4-5-22-6-7-23(30(32)33)15-24(22)14-21/h4-9,14-16,25,31H,10-13,17-18H2,1-3H3,(H3,32,33)
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11n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine cationic trypsin


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50081365
PNG
(3-(5-{3-[(Z)-amino(imino)methyl]phenoxy}-2,4-diflu...)
Show SMILES Cc1c(F)c(Oc2cccc(c2)C(N)=N)cc(Oc2cccc(c2)C(N)=N)c1F
Show InChI InChI=1S/C21H18F2N4O2/c1-11-18(22)16(28-14-6-2-4-12(8-14)20(24)25)10-17(19(11)23)29-15-7-3-5-13(9-15)21(26)27/h2-10H,1H3,(H3,24,25)(H3,26,27)
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12n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Coagulation factor Xa (factor Xa)


J Med Chem 42: 3910-8 (1999)


Article DOI: 10.1021/jm9900669
BindingDB Entry DOI: 10.7270/Q2X63M5W
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50084164
PNG
(2-[1-[4-amino(imino)methylphenyl]-(Z)-methylidene]...)
Show SMILES CNC(=N)c1ccc(C=C2CCCCC(=Cc3ccc(cc3)C(N)=N)C2=O)cc1
Show InChI InChI=1S/C24H26N4O/c1-28-24(27)19-12-8-17(9-13-19)15-21-5-3-2-4-20(22(21)29)14-16-6-10-18(11-7-16)23(25)26/h6-15H,2-5H2,1H3,(H3,25,26)(H2,27,28)
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12n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibition of human coagulation factor Xa (Xa) in a purified enzyme system.


J Med Chem 42: 5415-25 (2000)


Article DOI: 10.1021/jm990456v
BindingDB Entry DOI: 10.7270/Q2TT4Q5S
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50088949
PNG
(7-{2-sec-Butyl-5-[1-(1-imino-ethyl)-piperidin-4-yl...)
Show SMILES CCC(C)c1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C30H36N6O/c1-4-19(2)30-34-27-17-26(37-25-11-13-35(14-12-25)20(3)31)9-10-28(27)36(30)18-21-5-6-22-7-8-23(29(32)33)16-24(22)15-21/h5-10,15-17,19,25,31H,4,11-14,18H2,1-3H3,(H3,32,33)
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13n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine cationic trypsin


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50088939
PNG
(7-{2-Butyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]...)
Show SMILES CCCCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C30H36N6O/c1-3-4-5-29-34-27-18-26(37-25-12-14-35(15-13-25)20(2)31)10-11-28(27)36(29)19-21-6-7-22-8-9-23(30(32)33)17-24(22)16-21/h6-11,16-18,25,31H,3-5,12-15,19H2,1-2H3,(H3,32,33)
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14n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine cationic trypsin


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
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