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PubMed code 12668013

Compile data set for download or QSAR
Found 42 hits of Enzyme Inhibition Constant Data   
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 VII


(Homo sapiens (Human))		BDBM50126575
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[1-(3-oxo-...)
Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H22N6O4/c1-11(13-4-7-16-15(8-13)26-18(28)10-30-16)24-17(27)9-23-20(29)25-14-5-2-12(3-6-14)19(21)22/h2-8,11H,9-10H2,1H3,(H3,21,22)(H,24,27)(H,26,28)(H2,23,25,29)
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 23n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126572
PNG
(CHEMBL35754 | N-[1-(2,4-Bis-trifluoromethyl-phenyl...)
Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19F6N5O2/c1-10(14-7-4-12(19(21,22)23)8-15(14)20(24,25)26)30-16(32)9-29-18(33)31-13-5-2-11(3-6-13)17(27)28/h2-8,10H,9H2,1H3,(H3,27,28)(H,30,32)(H2,29,31,33)
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 27n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126571
PNG
(CHEMBL35586 | N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-[...)
Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1cccc(Br)c1
Show InChI InChI=1S/C18H20BrN5O2/c1-11(13-3-2-4-14(19)9-13)23-16(25)10-22-18(26)24-15-7-5-12(6-8-15)17(20)21/h2-9,11H,10H2,1H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t11-/m0/s1
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 27n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126579
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(3-...)
Show SMILES COc1cccc(c1)[C@H](C)NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C19H23N5O3/c1-12(14-4-3-5-16(10-14)27-2)23-17(25)11-22-19(26)24-15-8-6-13(7-9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t12-/m0/s1
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 35n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126570
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(2,...)
Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H23N5O4/c1-12(14-4-7-16-17(10-14)29-9-8-28-16)24-18(26)11-23-20(27)25-15-5-2-13(3-6-15)19(21)22/h2-7,10,12H,8-9,11H2,1H3,(H3,21,22)(H,24,26)(H2,23,25,27)/t12-/m0/s1
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 67n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126574
PNG
(CHEMBL35813 | N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-[...)
Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(C(N)=N)c(F)c1)c1cccc(Br)c1
Show InChI InChI=1S/C18H19BrFN5O2/c1-10(11-3-2-4-12(19)7-11)24-16(26)9-23-18(27)25-13-5-6-14(17(21)22)15(20)8-13/h2-8,10H,9H2,1H3,(H3,21,22)(H,24,26)(H2,23,25,27)/t10-/m0/s1
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 120n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126585
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-((S)-1-phe...)
Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccccc1
Show InChI InChI=1S/C18H21N5O2/c1-12(13-5-3-2-4-6-13)22-16(24)11-21-18(25)23-15-9-7-14(8-10-15)17(19)20/h2-10,12H,11H2,1H3,(H3,19,20)(H,22,24)(H2,21,23,25)/t12-/m0/s1
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 430n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126576
PNG
(2-[3-(4-Carbamimidoyl-3-fluoro-phenyl)-ureido]-N-[...)
Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(C(N)=N)c(F)c1)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H21FN6O4/c1-10(11-2-5-16-15(6-11)27-18(29)9-31-16)25-17(28)8-24-20(30)26-12-3-4-13(19(22)23)14(21)7-12/h2-7,10H,8-9H2,1H3,(H3,22,23)(H,25,28)(H,27,29)(H2,24,26,30)
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 470n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126587
PNG
((S)-4-[(S)-1-(3-Bromo-phenyl)-ethylcarbamoyl]-4-[3...)
Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)Nc1ccc(cc1)C(N)=N)c1cccc(Br)c1
Show InChI InChI=1S/C21H24BrN5O4/c1-12(14-3-2-4-15(22)11-14)25-20(30)17(9-10-18(28)29)27-21(31)26-16-7-5-13(6-8-16)19(23)24/h2-8,11-12,17H,9-10H2,1H3,(H3,23,24)(H,25,30)(H,28,29)(H2,26,27,31)/t12-,17-/m0/s1
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 540n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126577
PNG
(CHEMBL441030 | N-Benzhydryl-2-[3-(4-carbamimidoyl-...)
Show SMILES NC(=N)c1ccc(NC(=O)NCC(=O)NC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C23H23N5O2/c24-22(25)18-11-13-19(14-12-18)27-23(30)26-15-20(29)28-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H3,24,25)(H,28,29)(H2,26,27,30)
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 730n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126582
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-(3,4-dichl...)
Show SMILES NC(=N)c1ccc(NC(=O)NCC(=O)NCc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H17Cl2N5O2/c18-13-6-1-10(7-14(13)19)8-22-15(25)9-23-17(26)24-12-4-2-11(3-5-12)16(20)21/h1-7H,8-9H2,(H3,20,21)(H,22,25)(H2,23,24,26)
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 970n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50126582
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-(3,4-dichl...)
Show SMILES NC(=N)c1ccc(NC(=O)NCC(=O)NCc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H17Cl2N5O2/c18-13-6-1-10(7-14(13)19)8-22-15(25)9-23-17(26)24-12-4-2-11(3-5-12)16(20)21/h1-7H,8-9H2,(H3,20,21)(H,22,25)(H2,23,24,26)
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 1.45E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against zymogen coagulation factor (fXa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126573
PNG
(CHEMBL287473 | N-(3-Bromo-benzyl)-2-[3-(4-carbamim...)
Show SMILES NC(=N)c1ccc(NC(=O)NCC(=O)NCc2cccc(Br)c2)cc1
Show InChI InChI=1S/C17H18BrN5O2/c18-13-3-1-2-11(8-13)9-21-15(24)10-22-17(25)23-14-6-4-12(5-7-14)16(19)20/h1-8H,9-10H2,(H3,19,20)(H,21,24)(H2,22,23,25)
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 1.51E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126583
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-(4-dimethy...)
Show SMILES CN(C)c1ccc(CNC(=O)CNC(=O)Nc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N6O2/c1-25(2)16-9-3-13(4-10-16)11-22-17(26)12-23-19(27)24-15-7-5-14(6-8-15)18(20)21/h3-10H,11-12H2,1-2H3,(H3,20,21)(H,22,26)(H2,23,24,27)
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 1.94E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126580
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-(3-chloro-...)
Show SMILES NC(=N)c1ccc(NC(=O)NCC(=O)NCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C17H18ClN5O2/c18-13-3-1-2-11(8-13)9-21-15(24)10-22-17(25)23-14-6-4-12(5-7-14)16(19)20/h1-8H,9-10H2,(H3,19,20)(H,21,24)(H2,22,23,25)
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 2.17E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126588
PNG
(CHEMBL32851 | N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-[...)
Show SMILES C[C@H](NC(=O)C(NC(=O)Nc1ccc(cc1)C(N)=N)c1ccccc1)c1cccc(Br)c1
Show InChI InChI=1S/C24H24BrN5O2/c1-15(18-8-5-9-19(25)14-18)28-23(31)21(16-6-3-2-4-7-16)30-24(32)29-20-12-10-17(11-13-20)22(26)27/h2-15,21H,1H3,(H3,26,27)(H,28,31)(H2,29,30,32)/t15-,21?/m0/s1
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 3.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126578
PNG
(CHEMBL285689 | N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-...)
Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(C(N)=N)c(Cl)c1)c1cccc(Br)c1
Show InChI InChI=1S/C18H19BrClN5O2/c1-10(11-3-2-4-12(19)7-11)24-16(26)9-23-18(27)25-13-5-6-14(17(21)22)15(20)8-13/h2-8,10H,9H2,1H3,(H3,21,22)(H,24,26)(H2,23,25,27)/t10-/m0/s1
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 3.76E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126581
PNG
(2-[3-(4-Carbamimidoyl-3-chloro-phenyl)-ureido]-N-[...)
Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(C(N)=N)c(Cl)c1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H22ClN5O4/c1-11(12-2-5-16-17(8-12)30-7-6-29-16)25-18(27)10-24-20(28)26-13-3-4-14(19(22)23)15(21)9-13/h2-5,8-9,11H,6-7,10H2,1H3,(H3,22,23)(H,25,27)(H2,24,26,28)
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 3.94E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126568
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-(1-methyl-...)
Show SMILES CC(C)(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccccc1
Show InChI InChI=1S/C19H23N5O2/c1-19(2,14-6-4-3-5-7-14)24-16(25)12-22-18(26)23-15-10-8-13(9-11-15)17(20)21/h3-11H,12H2,1-2H3,(H3,20,21)(H,24,25)(H2,22,23,26)
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 7.62E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50126573
PNG
(CHEMBL287473 | N-(3-Bromo-benzyl)-2-[3-(4-carbamim...)
Show SMILES NC(=N)c1ccc(NC(=O)NCC(=O)NCc2cccc(Br)c2)cc1
Show InChI InChI=1S/C17H18BrN5O2/c18-13-3-1-2-11(8-13)9-21-15(24)10-22-17(25)23-14-6-4-12(5-7-14)16(19)20/h1-8H,9-10H2,(H3,19,20)(H,21,24)(H2,22,23,25)
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 7.80E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against zymogen coagulation factor (fXa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50126569
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-((R)-1-phe...)
Show SMILES C[C@@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccccc1
Show InChI InChI=1S/C18H21N5O2/c1-12(13-5-3-2-4-6-13)22-16(24)11-21-18(25)23-15-9-7-14(8-10-15)17(19)20/h2-10,12H,11H2,1H3,(H3,19,20)(H,22,24)(H2,21,23,25)/t12-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against zymogen coagulation factor (fXa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50126575
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[1-(3-oxo-...)
Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H22N6O4/c1-11(13-4-7-16-15(8-13)26-18(28)10-30-16)24-17(27)9-23-20(29)25-14-5-2-12(3-6-14)19(21)22/h2-8,11H,9-10H2,1H3,(H3,21,22)(H,24,27)(H,26,28)(H2,23,25,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against zymogen coagulation factor (fXa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50126579
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(3-...)
Show SMILES COc1cccc(c1)[C@H](C)NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C19H23N5O3/c1-12(14-4-3-5-16(10-14)27-2)23-17(25)11-22-19(26)24-15-8-6-13(7-9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t12-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against zymogen coagulation factor (fXa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50126571
PNG
(CHEMBL35586 | N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-[...)
Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1cccc(Br)c1
Show InChI InChI=1S/C18H20BrN5O2/c1-11(13-3-2-4-14(19)9-13)23-16(25)10-22-18(26)24-15-7-5-12(6-8-15)17(20)21/h2-9,11H,10H2,1H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t11-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against zymogen coagulation factor (fXa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50126572
PNG
(CHEMBL35754 | N-[1-(2,4-Bis-trifluoromethyl-phenyl...)
Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19F6N5O2/c1-10(14-7-4-12(19(21,22)23)8-15(14)20(24,25)26)30-16(32)9-29-18(33)31-13-5-2-11(3-6-13)17(27)28/h2-8,10H,9H2,1H3,(H3,27,28)(H,30,32)(H2,29,31,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against zymogen coagulation factor (fXa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50126570
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(2,...)
Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H23N5O4/c1-12(14-4-7-16-17(10-14)29-9-8-28-16)24-18(26)11-23-20(27)25-15-5-2-13(3-6-15)19(21)22/h2-7,10,12H,8-9,11H2,1H3,(H3,21,22)(H,24,26)(H2,23,25,27)/t12-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against zymogen coagulation factor (fXa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50126568
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-(1-methyl-...)
Show SMILES CC(C)(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccccc1
Show InChI InChI=1S/C19H23N5O2/c1-19(2,14-6-4-3-5-7-14)24-16(25)12-22-18(26)23-15-10-8-13(9-11-15)17(20)21/h3-11H,12H2,1-2H3,(H3,20,21)(H,24,25)(H2,22,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against zymogen coagulation factor (fXa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50126585
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-((S)-1-phe...)
Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccccc1
Show InChI InChI=1S/C18H21N5O2/c1-12(13-5-3-2-4-6-13)22-16(24)11-21-18(25)23-15-9-7-14(8-10-15)17(19)20/h2-10,12H,11H2,1H3,(H3,19,20)(H,22,24)(H2,21,23,25)/t12-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against zymogen coagulation factor (fXa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50126582
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-(3,4-dichl...)
Show SMILES NC(=N)c1ccc(NC(=O)NCC(=O)NCc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H17Cl2N5O2/c18-13-6-1-10(7-14(13)19)8-22-15(25)9-23-17(26)24-12-4-2-11(3-5-12)16(20)21/h1-7H,8-9H2,(H3,20,21)(H,22,25)(H2,23,24,26)
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 1.01E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50126570
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(2,...)
Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H23N5O4/c1-12(14-4-7-16-17(10-14)29-9-8-28-16)24-18(26)11-23-20(27)25-15-5-2-13(3-6-15)19(21)22/h2-7,10,12H,8-9,11H2,1H3,(H3,21,22)(H,24,26)(H2,23,25,27)/t12-/m0/s1
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 1.12E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50126571
PNG
(CHEMBL35586 | N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-[...)
Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1cccc(Br)c1
Show InChI InChI=1S/C18H20BrN5O2/c1-11(13-3-2-4-14(19)9-13)23-16(25)10-22-18(26)24-15-7-5-12(6-8-15)17(20)21/h2-9,11H,10H2,1H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t11-/m0/s1
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 1.59E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50126575
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[1-(3-oxo-...)
Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H22N6O4/c1-11(13-4-7-16-15(8-13)26-18(28)10-30-16)24-17(27)9-23-20(29)25-14-5-2-12(3-6-14)19(21)22/h2-8,11H,9-10H2,1H3,(H3,21,22)(H,24,27)(H,26,28)(H2,23,25,29)
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 1.64E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50126579
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(3-...)
Show SMILES COc1cccc(c1)[C@H](C)NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C19H23N5O3/c1-12(14-4-3-5-16(10-14)27-2)23-17(25)11-22-19(26)24-15-8-6-13(7-9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t12-/m0/s1
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 1.82E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126569
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-((R)-1-phe...)
Show SMILES C[C@@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccccc1
Show InChI InChI=1S/C18H21N5O2/c1-12(13-5-3-2-4-6-13)22-16(24)11-21-18(25)23-15-9-7-14(8-10-15)17(19)20/h2-10,12H,11H2,1H3,(H3,19,20)(H,22,24)(H2,21,23,25)/t12-/m1/s1
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 2.02E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126586
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-(4-dimethy...)
Show SMILES CN(C)c1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)Nc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C26H30N6O2/c1-32(2)22-14-8-19(9-15-22)17-29-25(33)23(16-18-6-4-3-5-7-18)31-26(34)30-21-12-10-20(11-13-21)24(27)28/h3-15,23H,16-17H2,1-2H3,(H3,27,28)(H,29,33)(H2,30,31,34)
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 2.09E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126584
PNG
(CHEMBL35978 | N-[(R)-1-(3-Bromo-phenyl)-ethyl]-2-[...)
Show SMILES C[C@@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1cccc(Br)c1
Show InChI InChI=1S/C18H20BrN5O2/c1-11(13-3-2-4-14(19)9-13)23-16(25)10-22-18(26)24-15-7-5-12(6-8-15)17(20)21/h2-9,11H,10H2,1H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t11-/m1/s1
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 3.10E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50126567
PNG
((S)-2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-(3,4-d...)
Show SMILES C[C@H](NC(=O)Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2N5O2/c1-10(17(26)23-9-11-2-7-14(19)15(20)8-11)24-18(27)25-13-5-3-12(4-6-13)16(21)22/h2-8,10H,9H2,1H3,(H3,21,22)(H,23,26)(H2,24,25,27)/t10-/m0/s1
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 4.58E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50126568
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-(1-methyl-...)
Show SMILES CC(C)(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccccc1
Show InChI InChI=1S/C19H23N5O2/c1-19(2,14-6-4-3-5-7-14)24-16(25)12-22-18(26)23-15-10-8-13(9-11-15)17(20)21/h3-11H,12H2,1-2H3,(H3,20,21)(H,24,25)(H2,22,23,26)
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>5.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50126569
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-((R)-1-phe...)
Show SMILES C[C@@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccccc1
Show InChI InChI=1S/C18H21N5O2/c1-12(13-5-3-2-4-6-13)22-16(24)11-21-18(25)23-15-9-7-14(8-10-15)17(19)20/h2-10,12H,11H2,1H3,(H3,19,20)(H,22,24)(H2,21,23,25)/t12-/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50126573
PNG
(CHEMBL287473 | N-(3-Bromo-benzyl)-2-[3-(4-carbamim...)
Show SMILES NC(=N)c1ccc(NC(=O)NCC(=O)NCc2cccc(Br)c2)cc1
Show InChI InChI=1S/C17H18BrN5O2/c18-13-3-1-2-11(8-13)9-21-15(24)10-22-17(25)23-14-6-4-12(5-7-14)16(19)20/h1-8H,9-10H2,(H3,19,20)(H,21,24)(H2,22,23,25)
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>5.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50126585
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-((S)-1-phe...)
Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccccc1
Show InChI InChI=1S/C18H21N5O2/c1-12(13-5-3-2-4-6-13)22-16(24)11-21-18(25)23-15-9-7-14(8-10-15)17(19)20/h2-10,12H,11H2,1H3,(H3,19,20)(H,22,24)(H2,21,23,25)/t12-/m0/s1
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 5.07E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50126572
PNG
(CHEMBL35754 | N-[1-(2,4-Bis-trifluoromethyl-phenyl...)
Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19F6N5O2/c1-10(14-7-4-12(19(21,22)23)8-15(14)20(24,25)26)30-16(32)9-29-18(33)31-13-5-2-11(3-6-13)17(27)28/h2-8,10H,9H2,1H3,(H3,27,28)(H,30,32)(H2,29,31,33)
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>1.00E+5n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin

Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%