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Compile Data Set for Download or QSAR

Found 519 hits with Last Name = 'shrader' and Initial = 'wd'   
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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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0.0780n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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0.460n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50180517
PNG
(2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-3'-ca...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(c2)C(N)=O)c1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C25H21N5O6/c26-22(27)12-4-5-18-19(9-12)30-24(29-18)17-8-14(16(25(35)36)10-20(31)32)7-15(21(17)33)11-2-1-3-13(6-11)23(28)34/h1-9,16,33H,10H2,(H3,26,27)(H2,28,34)(H,29,30)(H,31,32)(H,35,36)
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0.5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to plasma kallikrein


Bioorg Med Chem Lett 16: 2034-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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0.5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Coagulation factor X


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50101871
PNG
(3-[3-(3-Benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-br...)
Show SMILES NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(CCC(O)=O)cc(Br)c1O
Show InChI InChI=1S/C25H22BrN3O3/c26-20-12-15(6-9-22(30)31)11-19(24(20)32)23-18(10-14-4-2-1-3-5-14)17-13-16(25(27)28)7-8-21(17)29-23/h1-5,7-8,11-13,29,32H,6,9-10H2,(H3,27,28)(H,30,31)
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0.5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X in human plasma


Bioorg Med Chem Lett 11: 1797-800 (2001)


Article DOI: 10.1016/s0960-894x(01)00311-0
BindingDB Entry DOI: 10.7270/Q20K27TW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50101882
PNG
(CHEMBL53829 | Phosphoric acid mono-{2-[3-(3-benzyl...)
Show SMILES NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(CCOP(O)(O)=O)cc(Br)c1O
Show InChI InChI=1S/C24H23BrN3O5P/c25-20-12-15(8-9-33-34(30,31)32)11-19(23(20)29)22-18(10-14-4-2-1-3-5-14)17-13-16(24(26)27)6-7-21(17)28-22/h1-7,11-13,28-29H,8-10H2,(H3,26,27)(H2,30,31,32)
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0.5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X in human plasma


Bioorg Med Chem Lett 11: 1797-800 (2001)


Article DOI: 10.1016/s0960-894x(01)00311-0
BindingDB Entry DOI: 10.7270/Q20K27TW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50101881
PNG
(4-[3-(3-Benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-br...)
Show SMILES NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(CCCC(O)=O)cc(Br)c1O
Show InChI InChI=1S/C26H24BrN3O3/c27-21-13-16(7-4-8-23(31)32)12-20(25(21)33)24-19(11-15-5-2-1-3-6-15)18-14-17(26(28)29)9-10-22(18)30-24/h1-3,5-6,9-10,12-14,30,33H,4,7-8,11H2,(H3,28,29)(H,31,32)
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0.700n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X in human plasma


Bioorg Med Chem Lett 11: 1797-800 (2001)


Article DOI: 10.1016/s0960-894x(01)00311-0
BindingDB Entry DOI: 10.7270/Q20K27TW
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50181921
PNG
(2-[5-(5-carbamimidoyl-1H-indol-2-yl)-6-hydroxy-3'-...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1cccc(c1)[N+]([O-])=O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C25H20N4O7/c26-24(27)13-4-5-20-15(6-13)10-21(28-20)19-9-14(18(25(33)34)11-22(30)31)8-17(23(19)32)12-2-1-3-16(7-12)29(35)36/h1-10,18,28,32H,11H2,(H3,26,27)(H,30,31)(H,33,34)
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1n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to factor7a/TF complex


Bioorg Med Chem Lett 16: 2243-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.037
BindingDB Entry DOI: 10.7270/Q2GB23NX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM16303
PNG
(2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1
Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)
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1n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM16303
PNG
(2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1
Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)
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1n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to thrombin in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50176251
PNG
(2-((6-chloro-1H-benzo[d]imidazol-2-yl)methyl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(Cl)cc4[nH]3)[nH]c2c1
Show InChI InChI=1S/C16H13ClN6/c17-9-2-4-11-13(6-9)23-15(21-11)7-14-20-10-3-1-8(16(18)19)5-12(10)22-14/h1-6H,7H2,(H3,18,19)(H,20,22)(H,21,23)
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1n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50176252
PNG
(2-((6-fluoro-1H-benzo[d]imidazol-2-yl)methyl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(F)cc4[nH]3)[nH]c2c1
Show InChI InChI=1S/C16H13FN6/c17-9-2-4-11-13(6-9)23-15(21-11)7-14-20-10-3-1-8(16(18)19)5-12(10)22-14/h1-6H,7H2,(H3,18,19)(H,20,22)(H,21,23)
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1n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50180400
PNG
(2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-...)
Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C26H24N6O7/c27-23(28)12-2-3-18-19(8-12)32-24(31-18)17-7-13(14(25(37)38)9-21(34)35)6-16(22(17)36)15-5-11(1-4-20(15)33)10-30-26(29)39/h1-8,14,33,36H,9-10H2,(H3,27,28)(H,31,32)(H,34,35)(H,37,38)(H3,29,30,39)
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1n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to f7a


Bioorg Med Chem Lett 16: 3829-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.018
BindingDB Entry DOI: 10.7270/Q2DN44NK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50189939
PNG
(5-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-6-hydrox...)
Show SMILES Nc1nccc2[nH]c(cc12)-c1cc(cc(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c1O)C(O)=O
Show InChI InChI=1S/C30H26N4O5/c31-28-23-15-25(34-24(23)9-10-32-28)22-14-20(30(38)39)13-21(27(22)36)19-8-4-7-18(11-19)16-33-29(37)26(35)12-17-5-2-1-3-6-17/h1-11,13-15,26,34-36H,12,16H2,(H2,31,32)(H,33,37)(H,38,39)/t26-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to f7a/TF complex


Bioorg Med Chem Lett 16: 4567-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.016
BindingDB Entry DOI: 10.7270/Q2NG4Q67
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM14338
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-4-nit...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cc(cc(-c2ccccc2)c1[O-])[N+]([O-])=O
Show InChI InChI=1S/C21H16N4O3/c22-21(23)13-6-7-18-14(8-13)9-19(24-18)17-11-15(25(27)28)10-16(20(17)26)12-4-2-1-3-5-12/h1-11,24,26H,(H3,22,23)
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1.30n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50101885
PNG
(2-[3-(3-Benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-br...)
Show SMILES NC(=O)Cc1cc(Br)c(O)c(c1)-c1[nH]c2ccc(cc2c1Cc1ccccc1)C(N)=N
Show InChI InChI=1S/C24H21BrN4O2/c25-19-10-14(11-21(26)30)9-18(23(19)31)22-17(8-13-4-2-1-3-5-13)16-12-15(24(27)28)6-7-20(16)29-22/h1-7,9-10,12,29,31H,8,11H2,(H2,26,30)(H3,27,28)
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2n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X in human plasma


Bioorg Med Chem Lett 11: 1797-800 (2001)


Article DOI: 10.1016/s0960-894x(01)00311-0
BindingDB Entry DOI: 10.7270/Q20K27TW
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50180400
PNG
(2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-...)
Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C26H24N6O7/c27-23(28)12-2-3-18-19(8-12)32-24(31-18)17-7-13(14(25(37)38)9-21(34)35)6-16(22(17)36)15-5-11(1-4-20(15)33)10-30-26(29)39/h1-8,14,33,36H,9-10H2,(H3,27,28)(H,31,32)(H,34,35)(H,37,38)(H3,29,30,39)
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2n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to F7a/TF complex


Bioorg Med Chem Lett 16: 2037-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.059
BindingDB Entry DOI: 10.7270/Q2639PBP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50181916
PNG
(CHEMBL206168 | [5-(5-carbamimidoyl-1H-benzoimidazo...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(O)=O)cc(c1O)-c1cc(F)ccc1O
Show InChI InChI=1S/C22H17FN4O4/c23-12-2-4-18(28)13(9-12)14-5-10(7-19(29)30)6-15(20(14)31)22-26-16-3-1-11(21(24)25)8-17(16)27-22/h1-6,8-9,28,31H,7H2,(H3,24,25)(H,26,27)(H,29,30)
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2n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to factor7a/TF complex


Bioorg Med Chem Lett 16: 2243-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.037
BindingDB Entry DOI: 10.7270/Q2GB23NX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50101883
PNG
(2-[3-(3-Benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-br...)
Show SMILES CN(C)C(=O)Cc1cc(Br)c(O)c(c1)-c1[nH]c2ccc(cc2c1Cc1ccccc1)C(N)=N
Show InChI InChI=1S/C26H25BrN4O2/c1-31(2)23(32)13-16-11-20(25(33)21(27)12-16)24-19(10-15-6-4-3-5-7-15)18-14-17(26(28)29)8-9-22(18)30-24/h3-9,11-12,14,30,33H,10,13H2,1-2H3,(H3,28,29)
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2n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X in human plasma


Bioorg Med Chem Lett 11: 1797-800 (2001)


Article DOI: 10.1016/s0960-894x(01)00311-0
BindingDB Entry DOI: 10.7270/Q20K27TW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50176257
PNG
(2-((5,6-dimethyl-1H-benzo[d]imidazol-2-yl)methyl)-...)
Show SMILES Cc1cc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2cc1C
Show InChI InChI=1S/C18H18N6/c1-9-5-13-14(6-10(9)2)23-17(22-13)8-16-21-12-4-3-11(18(19)20)7-15(12)24-16/h3-7H,8H2,1-2H3,(H3,19,20)(H,21,24)(H,22,23)
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2n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14352
PNG
(2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-...)
Show SMILES CN(C)C(=O)c1cc(-c2cc3cc(C(N)=[NH2+])c(Cl)cc3[nH]2)c([O-])c(c1)-c1ccccc1
Show InChI InChI=1S/C24H21ClN4O2/c1-29(2)24(31)15-9-16(13-6-4-3-5-7-13)22(30)18(10-15)21-11-14-8-17(23(26)27)19(25)12-20(14)28-21/h3-12,28,30H,1-2H3,(H3,26,27)
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2.20n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50189938
PNG
(2-{5-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-3'-[3...)
Show SMILES CC(C)(C(O)=O)c1cc(-c2cc3c(N)nccc3[nH]2)c(O)c(c1)-c1cccc(CNC(=O)Nc2c(F)cccc2F)c1
Show InChI InChI=1S/C31H27F2N5O4/c1-31(2,29(40)41)18-12-19(27(39)20(13-18)25-14-21-24(37-25)9-10-35-28(21)34)17-6-3-5-16(11-17)15-36-30(42)38-26-22(32)7-4-8-23(26)33/h3-14,37,39H,15H2,1-2H3,(H2,34,35)(H,40,41)(H2,36,38,42)
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2.60n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to f7a/TF complex


Bioorg Med Chem Lett 16: 4567-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.016
BindingDB Entry DOI: 10.7270/Q2NG4Q67
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14351
PNG
(2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-...)
Show SMILES COc1cc(-c2cc3cc(C(N)=[NH2+])c(Cl)cc3[nH]2)c([O-])c(c1)-c1ccccc1
Show InChI InChI=1S/C22H18ClN3O2/c1-28-14-9-15(12-5-3-2-4-6-12)21(27)17(10-14)20-8-13-7-16(22(24)25)18(23)11-19(13)26-20/h2-11,26-27H,1H3,(H3,24,25)
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2.60n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM13778
PNG
(2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H18N4O5/c24-23(25)14-4-5-19-15(9-14)11-20(26-19)18-7-12(8-21(28)29)6-17(22(18)30)13-2-1-3-16(10-13)27(31)32/h1-7,9-11,26,30H,8H2,(H3,24,25)(H,28,29)
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3n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to factor7a/TF complex


Bioorg Med Chem Lett 16: 2243-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.037
BindingDB Entry DOI: 10.7270/Q2GB23NX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50176254
PNG
(2-((5,7-dichloro-1H-benzo[d]imidazol-2-yl)methyl)-...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4cc(Cl)cc(Cl)c4[nH]3)[nH]c2c1
Show InChI InChI=1S/C16H12Cl2N6/c17-8-4-9(18)15-12(5-8)23-14(24-15)6-13-21-10-2-1-7(16(19)20)3-11(10)22-13/h1-5H,6H2,(H3,19,20)(H,21,22)(H,23,24)
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3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50176250
PNG
(2-((5-fluoro-7-methoxy-1H-benzo[d]imidazol-2-yl)me...)
Show SMILES COc1cc(F)cc2[nH]c(Cc3nc4ccc(cc4[nH]3)C(N)=N)nc12
Show InChI InChI=1S/C17H15FN6O/c1-25-13-6-9(18)5-12-16(13)24-15(23-12)7-14-21-10-3-2-8(17(19)20)4-11(10)22-14/h2-6H,7H2,1H3,(H3,19,20)(H,21,22)(H,23,24)
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3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50101879
PNG
(CHEMBL50924 | [3-(3-Benzyl-5-carbamimidoyl-1H-indo...)
Show SMILES NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(CC(O)=O)cc(Br)c1O
Show InChI InChI=1S/C24H20BrN3O3/c25-19-10-14(11-21(29)30)9-18(23(19)31)22-17(8-13-4-2-1-3-5-13)16-12-15(24(26)27)6-7-20(16)28-22/h1-7,9-10,12,28,31H,8,11H2,(H3,26,27)(H,29,30)
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3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X in human plasma


Bioorg Med Chem Lett 11: 1797-800 (2001)


Article DOI: 10.1016/s0960-894x(01)00311-0
BindingDB Entry DOI: 10.7270/Q20K27TW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50101880
PNG
(CHEMBL416127 | [3-(3-Benzyl-5-carbamimidoyl-1H-ind...)
Show SMILES COC(=O)Cc1cc(Br)c(O)c(c1)-c1[nH]c2ccc(cc2c1Cc1ccccc1)C(N)=N
Show InChI InChI=1S/C25H22BrN3O3/c1-32-22(30)12-15-10-19(24(31)20(26)11-15)23-18(9-14-5-3-2-4-6-14)17-13-16(25(27)28)7-8-21(17)29-23/h2-8,10-11,13,29,31H,9,12H2,1H3,(H3,27,28)
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3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X in human plasma


Bioorg Med Chem Lett 11: 1797-800 (2001)


Article DOI: 10.1016/s0960-894x(01)00311-0
BindingDB Entry DOI: 10.7270/Q20K27TW
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM13778
PNG
(2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H18N4O5/c24-23(25)14-4-5-19-15(9-14)11-20(26-19)18-7-12(8-21(28)29)6-17(22(18)30)13-2-1-3-16(10-13)27(31)32/h1-7,9-11,26,30H,8H2,(H3,24,25)(H,28,29)
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3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50103655
PNG
(CHEMBL72231 | Phosphoric acid mono-{2-[5-(5-carbam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CCO[P+](O)(O)[O-])cc(c1O)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H21N4O7P/c24-23(25)15-4-5-20-16(10-15)12-21(26-20)19-9-13(6-7-34-35(31,32)33)8-18(22(19)28)14-2-1-3-17(11-14)27(29)30/h1-5,8-12,26,28H,6-7H2,(H3,24,25)(H2,31,32,33)
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3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50186211
PNG
(CHEMBL211482 | N-[3'-(5-carbamimidoyl-1H-indol-2-y...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(c1O)-c1cc(CNC(=O)CO)ccc1O
Show InChI InChI=1S/C24H22N4O4/c25-24(26)14-5-6-19-15(9-14)10-20(28-19)17-3-1-2-16(23(17)32)18-8-13(4-7-21(18)30)11-27-22(31)12-29/h1-10,28-30,32H,11-12H2,(H3,25,26)(H,27,31)
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3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to f7a


Bioorg Med Chem Lett 16: 3829-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.018
BindingDB Entry DOI: 10.7270/Q2DN44NK
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM14921
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(O)c2)c1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H20N4O6/c25-22(26)12-4-5-18-19(9-12)28-23(27-18)17-8-13(16(24(33)34)10-20(30)31)7-15(21(17)32)11-2-1-3-14(29)6-11/h1-9,16,29,32H,10H2,(H3,25,26)(H,27,28)(H,30,31)(H,33,34)
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3n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to plasma kallikrein


Bioorg Med Chem Lett 16: 2034-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM14917
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(Cl)c2)c1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H19ClN4O5/c25-14-3-1-2-11(6-14)15-7-13(16(24(33)34)10-20(30)31)8-17(21(15)32)23-28-18-5-4-12(22(26)27)9-19(18)29-23/h1-9,16,32H,10H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)
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3n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to plasma kallikrein


Bioorg Med Chem Lett 16: 2034-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14354
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-4-(di...)
Show SMILES CN(C)C(=O)c1cc(-c2cc3cc(ccc3[nH]2)C(N)=[NH2+])c([O-])c(c1)-c1ccccc1
Show InChI InChI=1S/C24H22N4O2/c1-28(2)24(30)17-11-18(14-6-4-3-5-7-14)22(29)19(12-17)21-13-16-10-15(23(25)26)8-9-20(16)27-21/h3-13,27,29H,1-2H3,(H3,25,26)
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3.20n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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3.20n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Plasmin


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM14898
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(F)ccc1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H19FN4O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)
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4n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to F7a/TF complex


Bioorg Med Chem Lett 16: 2037-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.059
BindingDB Entry DOI: 10.7270/Q2639PBP
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM14914
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
Show SMILES Cc1cccc(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C25H22N4O5/c1-12-3-2-4-13(7-12)16-8-15(17(25(33)34)11-21(30)31)9-18(22(16)32)24-28-19-6-5-14(23(26)27)10-20(19)29-24/h2-10,17,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)
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4n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to plasma kallikrein


Bioorg Med Chem Lett 16: 2034-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50186210
PNG
(2-(2,2'-dihydroxy-5-methyl-5'-ureidomethyl-bipheny...)
Show SMILES Cc1cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c(O)c(c1)-c1cc(CNC(N)=O)ccc1O
Show InChI InChI=1S/C23H22N6O3/c1-11-6-15(14-8-12(2-5-19(14)30)10-27-23(26)32)20(31)16(7-11)22-28-17-4-3-13(21(24)25)9-18(17)29-22/h2-9,30-31H,10H2,1H3,(H3,24,25)(H,28,29)(H3,26,27,32)
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4n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to f7a


Bioorg Med Chem Lett 16: 3829-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.018
BindingDB Entry DOI: 10.7270/Q2DN44NK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50101870
PNG
(3-(3-Benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo...)
Show SMILES NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(cc(Br)c1O)C(O)=O
Show InChI InChI=1S/C23H18BrN3O3/c24-18-11-14(23(29)30)10-17(21(18)28)20-16(8-12-4-2-1-3-5-12)15-9-13(22(25)26)6-7-19(15)27-20/h1-7,9-11,27-28H,8H2,(H3,25,26)(H,29,30)
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4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X in human plasma


Bioorg Med Chem Lett 11: 1797-800 (2001)


Article DOI: 10.1016/s0960-894x(01)00311-0
BindingDB Entry DOI: 10.7270/Q20K27TW
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50181919
PNG
(2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-5'-fl...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(CC(O)=O)C(O)=O)cc(c1O)-c1cc(F)ccc1O
Show InChI InChI=1S/C25H21FN4O6/c26-14-2-4-20(31)15(10-14)16-6-11(5-13(25(35)36)9-21(32)33)7-17(22(16)34)24-29-18-3-1-12(23(27)28)8-19(18)30-24/h1-4,6-8,10,13,31,34H,5,9H2,(H3,27,28)(H,29,30)(H,32,33)(H,35,36)
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4n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to factor7a/TF complex


Bioorg Med Chem Lett 16: 2243-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.037
BindingDB Entry DOI: 10.7270/Q2GB23NX
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM14898
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(F)ccc1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H19FN4O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)
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4n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to factor7a/TF complex


Bioorg Med Chem Lett 16: 2243-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.037
BindingDB Entry DOI: 10.7270/Q2GB23NX
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM13778
PNG
(2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H18N4O5/c24-23(25)14-4-5-19-15(9-14)11-20(26-19)18-7-12(8-21(28)29)6-17(22(18)30)13-2-1-3-16(10-13)27(31)32/h1-7,9-11,26,30H,8H2,(H3,24,25)(H,28,29)
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4 -47.5n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 2270-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.017
BindingDB Entry DOI: 10.7270/Q2RF5S8X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14898
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(F)ccc1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H19FN4O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)
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4 -47.5n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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4.20n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Coagulation factor II


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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4.70n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Trypsin


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50180516
PNG
(2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6-hyd...)
Show SMILES COc1cccc(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C25H22N4O6/c1-35-15-4-2-3-12(7-15)16-8-14(17(25(33)34)11-21(30)31)9-18(22(16)32)24-28-19-6-5-13(23(26)27)10-20(19)29-24/h2-10,17,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)
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5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to plasma kallikrein


Bioorg Med Chem Lett 16: 2034-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50186216
PNG
(2-(5-fluoro-2,2'-dihydroxy-5'-ureidomethyl-bipheny...)
Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cc(F)cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C22H19FN6O3/c23-12-7-14(13-5-10(1-4-18(13)30)9-27-22(26)32)19(31)15(8-12)21-28-16-3-2-11(20(24)25)6-17(16)29-21/h1-8,30-31H,9H2,(H3,24,25)(H,28,29)(H3,26,27,32)
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5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to f7a


Bioorg Med Chem Lett 16: 3829-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.018
BindingDB Entry DOI: 10.7270/Q2DN44NK
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50103652
PNG
(5-(5-Carbamimidoyl-1H-indol-2-yl)-6-hydroxy-3'-nit...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1cccc(c1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C22H16N4O5/c23-21(24)12-4-5-18-13(6-12)10-19(25-18)17-9-14(22(28)29)8-16(20(17)27)11-2-1-3-15(7-11)26(30)31/h1-10,25,27H,(H3,23,24)(H,28,29)
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5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14899
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(Cl)ccc1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H19ClN4O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)
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5.40 -46.7n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM14927
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
Show SMILES COc1ccccc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C25H22N4O6/c1-35-20-5-3-2-4-14(20)16-8-13(15(25(33)34)11-21(30)31)9-17(22(16)32)24-28-18-7-6-12(23(26)27)10-19(18)29-24/h2-10,15,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)
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6n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to plasma kallikrein


Bioorg Med Chem Lett 16: 2034-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N
More data for this
Ligand-Target Pair
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