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PubMed code 12565931

Compile data set for download or QSAR
Found 37 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 X


(Homo sapiens (Human))		BDBM50097626
PNG
(1-(3-Carbamimidoyl-phenyl)-1H-tetrazole-5-carboxyl...)
Show SMILES NC(=N)c1cccc(c1)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H18N8O3S/c22-19(23)14-4-3-5-16(12-14)29-20(26-27-28-29)21(30)25-15-10-8-13(9-11-15)17-6-1-2-7-18(17)33(24,31)32/h1-12H,(H3,22,23)(H,25,30)(H2,24,31,32)
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 0.0370n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human purified factor Xa

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50123033
PNG
(1-(3-Amino-benzo[d]isoxazol-5-yl)-1H-tetrazole-5-c...)
Show SMILES Nc1noc2ccc(cc12)-n1nnnc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H15FN8O4S/c22-15-9-11(13-3-1-2-4-18(13)35(24,32)33)5-7-16(15)25-21(31)20-26-28-29-30(20)12-6-8-17-14(10-12)19(23)27-34-17/h1-10H,(H2,23,27)(H,25,31)(H2,24,32,33)
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 0.350n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human purified factor Xa

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50123037
PNG
(1-(3-Amino-benzo[d]isoxazol-5-yl)-1H-tetrazole-5-c...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2ccc3onc(N)c3c2)c(F)c1
Show InChI InChI=1S/C22H16FN7O4S/c1-35(32,33)19-5-3-2-4-14(19)12-6-8-17(16(23)10-12)25-22(31)21-26-28-29-30(21)13-7-9-18-15(11-13)20(24)27-34-18/h2-11H,1H3,(H2,24,27)(H,25,31)
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 0.390n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human purified factor Xa

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50123038
PNG
(1-(3-Amino-benzo[d]isoxazol-5-yl)-1H-tetrazole-5-c...)
Show SMILES Nc1noc2ccc(cc12)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H16N8O4S/c22-19-16-11-14(9-10-17(16)33-26-19)29-20(25-27-28-29)21(30)24-13-7-5-12(6-8-13)15-3-1-2-4-18(15)34(23,31)32/h1-11H,(H2,22,26)(H,24,30)(H2,23,31,32)
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 0.980n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human purified factor Xa

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50123035
PNG
(1-(3-Amino-4-chloro-phenyl)-1H-tetrazole-5-carboxy...)
Show SMILES Nc1cc(ccc1Cl)-n1nnnc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C20H15ClFN7O3S/c21-14-7-6-12(10-16(14)23)29-19(26-27-28-29)20(30)25-17-8-5-11(9-15(17)22)13-3-1-2-4-18(13)33(24,31)32/h1-10H,23H2,(H,25,30)(H2,24,31,32)
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 1.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human purified factor Xa

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50123039
PNG
(1-(3-Amino-benzo[d]isoxazol-5-yl)-1H-tetrazole-5-c...)
Show SMILES Nc1noc2ccc(cc12)-n1nnnc1C(=O)Nc1ccc(cc1F)C(=O)N1CCCC1
Show InChI InChI=1S/C20H17FN8O3/c21-14-9-11(20(31)28-7-1-2-8-28)3-5-15(14)23-19(30)18-24-26-27-29(18)12-4-6-16-13(10-12)17(22)25-32-16/h3-6,9-10H,1-2,7-8H2,(H2,22,25)(H,23,30)
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 2.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human purified factor Xa

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50123043
PNG
(1-(3-Amino-4-chloro-phenyl)-1H-tetrazole-5-carboxy...)
Show SMILES Nc1cc(ccc1Cl)-n1nnnc1C(=O)Nc1ccc(cc1F)C(=O)N1CCCC1
Show InChI InChI=1S/C19H17ClFN7O2/c20-13-5-4-12(10-15(13)22)28-17(24-25-26-28)18(29)23-16-6-3-11(9-14(16)21)19(30)27-7-1-2-8-27/h3-6,9-10H,1-2,7-8,22H2,(H,23,29)
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 3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human purified factor Xa

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50123041
PNG
(1-(3-Amino-4-chloro-phenyl)-1H-tetrazole-5-carboxy...)
Show SMILES Nc1cc(ccc1Cl)-n1nnnc1C(=O)Nc1ccc(cc1Cl)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C20H15Cl2N7O3S/c21-14-7-6-12(10-16(14)23)29-19(26-27-28-29)20(30)25-17-8-5-11(9-15(17)22)13-3-1-2-4-18(13)33(24,31)32/h1-10H,23H2,(H,25,30)(H2,24,31,32)
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 3.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human purified factor Xa

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50123036
PNG
(1-(3-Amino-4-chloro-phenyl)-1H-tetrazole-5-carboxy...)
Show SMILES Nc1cc(ccc1Cl)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C20H16ClN7O3S/c21-16-10-9-14(11-17(16)22)28-19(25-26-27-28)20(29)24-13-7-5-12(6-8-13)15-3-1-2-4-18(15)32(23,30)31/h1-11H,22H2,(H,24,29)(H2,23,30,31)
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 5.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human purified factor Xa

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50097626
PNG
(1-(3-Carbamimidoyl-phenyl)-1H-tetrazole-5-carboxyl...)
Show SMILES NC(=N)c1cccc(c1)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H18N8O3S/c22-19(23)14-4-3-5-16(12-14)29-20(26-27-28-29)21(30)25-15-10-8-13(9-11-15)17-6-1-2-7-18(17)33(24,31)32/h1-12H,(H3,22,23)(H,25,30)(H2,24,31,32)
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 6.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against trypsin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50123040
PNG
(1-(3-Amino-4-chloro-phenyl)-1H-tetrazole-5-carboxy...)
Show SMILES Nc1cc(ccc1Cl)-n1nnnc1C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C19H15ClN8O3S/c20-14-7-6-12(9-15(14)21)28-18(25-26-27-28)19(29)24-17-8-5-11(10-23-17)13-3-1-2-4-16(13)32(22,30)31/h1-10H,21H2,(H2,22,30,31)(H,23,24,29)
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 8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human purified factor Xa

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50123034
PNG
(1-(4-Methoxy-phenyl)-1H-tetrazole-5-carboxylic aci...)
Show SMILES COc1ccc(cc1)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H18N6O4S/c1-31-17-12-10-16(11-13-17)27-20(24-25-26-27)21(28)23-15-8-6-14(7-9-15)18-4-2-3-5-19(18)32(22,29)30/h2-13H,1H3,(H,23,28)(H2,22,29,30)
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 8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human purified factor Xa

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50123042
PNG
(1-(3-Aminomethyl-phenyl)-1H-tetrazole-5-carboxylic...)
Show SMILES NCc1cccc(c1)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H19N7O3S/c22-13-14-4-3-5-17(12-14)28-20(25-26-27-28)21(29)24-16-10-8-15(9-11-16)18-6-1-2-7-19(18)32(23,30)31/h1-12H,13,22H2,(H,24,29)(H2,23,30,31)
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 13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human purified factor Xa

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50123031
PNG
(1-(3-Amino-4-methoxy-phenyl)-1H-tetrazole-5-carbox...)
Show SMILES COc1ccc(cc1N)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H19N7O4S/c1-32-18-11-10-15(12-17(18)22)28-20(25-26-27-28)21(29)24-14-8-6-13(7-9-14)16-4-2-3-5-19(16)33(23,30)31/h2-12H,22H2,1H3,(H,24,29)(H2,23,30,31)
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 19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human purified factor Xa

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50123042
PNG
(1-(3-Aminomethyl-phenyl)-1H-tetrazole-5-carboxylic...)
Show SMILES NCc1cccc(c1)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H19N7O3S/c22-13-14-4-3-5-17(12-14)28-20(25-26-27-28)21(29)24-16-10-8-15(9-11-16)18-6-1-2-7-19(18)32(23,30)31/h1-12H,13,22H2,(H,24,29)(H2,23,30,31)
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 69n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against trypsin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50097626
PNG
(1-(3-Carbamimidoyl-phenyl)-1H-tetrazole-5-carboxyl...)
Show SMILES NC(=N)c1cccc(c1)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H18N8O3S/c22-19(23)14-4-3-5-16(12-14)29-20(26-27-28-29)21(30)25-15-10-8-13(9-11-15)17-6-1-2-7-18(17)33(24,31)32/h1-12H,(H3,22,23)(H,25,30)(H2,24,31,32)
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 300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against thrombin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50123037
PNG
(1-(3-Amino-benzo[d]isoxazol-5-yl)-1H-tetrazole-5-c...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2ccc3onc(N)c3c2)c(F)c1
Show InChI InChI=1S/C22H16FN7O4S/c1-35(32,33)19-5-3-2-4-14(19)12-6-8-17(16(23)10-12)25-22(31)21-26-28-29-30(21)13-7-9-18-15(11-13)20(24)27-34-18/h2-11H,1H3,(H2,24,27)(H,25,31)
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 400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against thrombin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50123033
PNG
(1-(3-Amino-benzo[d]isoxazol-5-yl)-1H-tetrazole-5-c...)
Show SMILES Nc1noc2ccc(cc12)-n1nnnc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H15FN8O4S/c22-15-9-11(13-3-1-2-4-18(13)35(24,32)33)5-7-16(15)25-21(31)20-26-28-29-30(20)12-6-8-17-14(10-12)19(23)27-34-17/h1-10H,(H2,23,27)(H,25,31)(H2,24,32,33)
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 600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against thrombin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50123043
PNG
(1-(3-Amino-4-chloro-phenyl)-1H-tetrazole-5-carboxy...)
Show SMILES Nc1cc(ccc1Cl)-n1nnnc1C(=O)Nc1ccc(cc1F)C(=O)N1CCCC1
Show InChI InChI=1S/C19H17ClFN7O2/c20-13-5-4-12(10-15(13)22)28-17(24-25-26-28)18(29)23-16-6-3-11(9-14(16)21)19(30)27-7-1-2-8-27/h3-6,9-10H,1-2,7-8,22H2,(H,23,29)
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 1.20E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against thrombin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50123038
PNG
(1-(3-Amino-benzo[d]isoxazol-5-yl)-1H-tetrazole-5-c...)
Show SMILES Nc1noc2ccc(cc12)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H16N8O4S/c22-19-16-11-14(9-10-17(16)33-26-19)29-20(25-27-28-29)21(30)24-13-7-5-12(6-8-13)15-3-1-2-4-18(15)34(23,31)32/h1-11H,(H2,22,26)(H,24,30)(H2,23,31,32)
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 1.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against thrombin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50123037
PNG
(1-(3-Amino-benzo[d]isoxazol-5-yl)-1H-tetrazole-5-c...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2ccc3onc(N)c3c2)c(F)c1
Show InChI InChI=1S/C22H16FN7O4S/c1-35(32,33)19-5-3-2-4-14(19)12-6-8-17(16(23)10-12)25-22(31)21-26-28-29-30(21)13-7-9-18-15(11-13)20(24)27-34-18/h2-11H,1H3,(H2,24,27)(H,25,31)
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>1.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against trypsin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50123041
PNG
(1-(3-Amino-4-chloro-phenyl)-1H-tetrazole-5-carboxy...)
Show SMILES Nc1cc(ccc1Cl)-n1nnnc1C(=O)Nc1ccc(cc1Cl)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C20H15Cl2N7O3S/c21-14-7-6-12(10-16(14)23)29-19(26-27-28-29)20(30)25-17-8-5-11(9-15(17)22)13-3-1-2-4-18(13)33(24,31)32/h1-10H,23H2,(H,25,30)(H2,24,31,32)
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 1.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against thrombin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50123031
PNG
(1-(3-Amino-4-methoxy-phenyl)-1H-tetrazole-5-carbox...)
Show SMILES COc1ccc(cc1N)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H19N7O4S/c1-32-18-11-10-15(12-17(18)22)28-20(25-26-27-28)21(29)24-14-8-6-13(7-9-14)16-4-2-3-5-19(16)33(23,30)31/h2-12H,22H2,1H3,(H,24,29)(H2,23,30,31)
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>1.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against trypsin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50123036
PNG
(1-(3-Amino-4-chloro-phenyl)-1H-tetrazole-5-carboxy...)
Show SMILES Nc1cc(ccc1Cl)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C20H16ClN7O3S/c21-16-10-9-14(11-17(16)22)28-19(25-26-27-28)20(29)24-13-7-5-12(6-8-13)15-3-1-2-4-18(15)32(23,30)31/h1-11H,22H2,(H,24,29)(H2,23,30,31)
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 1.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against thrombin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50123038
PNG
(1-(3-Amino-benzo[d]isoxazol-5-yl)-1H-tetrazole-5-c...)
Show SMILES Nc1noc2ccc(cc12)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H16N8O4S/c22-19-16-11-14(9-10-17(16)33-26-19)29-20(25-27-28-29)21(30)24-13-7-5-12(6-8-13)15-3-1-2-4-18(15)34(23,31)32/h1-11H,(H2,22,26)(H,24,30)(H2,23,31,32)
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>1.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against trypsin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50123039
PNG
(1-(3-Amino-benzo[d]isoxazol-5-yl)-1H-tetrazole-5-c...)
Show SMILES Nc1noc2ccc(cc12)-n1nnnc1C(=O)Nc1ccc(cc1F)C(=O)N1CCCC1
Show InChI InChI=1S/C20H17FN8O3/c21-14-9-11(20(31)28-7-1-2-8-28)3-5-15(14)23-19(30)18-24-26-27-29(18)12-4-6-16-13(10-12)17(22)25-32-16/h3-6,9-10H,1-2,7-8H2,(H2,22,25)(H,23,30)
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>1.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against trypsin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50123034
PNG
(1-(4-Methoxy-phenyl)-1H-tetrazole-5-carboxylic aci...)
Show SMILES COc1ccc(cc1)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H18N6O4S/c1-31-17-12-10-16(11-13-17)27-20(24-25-26-27)21(28)23-15-8-6-14(7-9-15)18-4-2-3-5-19(18)32(22,29)30/h2-13H,1H3,(H,23,28)(H2,22,29,30)
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>1.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against trypsin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50123040
PNG
(1-(3-Amino-4-chloro-phenyl)-1H-tetrazole-5-carboxy...)
Show SMILES Nc1cc(ccc1Cl)-n1nnnc1C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C19H15ClN8O3S/c20-14-7-6-12(9-15(14)21)28-18(25-26-27-28)19(29)24-17-8-5-11(10-23-17)13-3-1-2-4-16(13)32(22,30)31/h1-10H,21H2,(H2,22,30,31)(H,23,24,29)
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>1.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against trypsin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50123041
PNG
(1-(3-Amino-4-chloro-phenyl)-1H-tetrazole-5-carboxy...)
Show SMILES Nc1cc(ccc1Cl)-n1nnnc1C(=O)Nc1ccc(cc1Cl)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C20H15Cl2N7O3S/c21-14-7-6-12(10-16(14)23)29-19(26-27-28-29)20(30)25-17-8-5-11(9-15(17)22)13-3-1-2-4-18(13)33(24,31)32/h1-10H,23H2,(H,25,30)(H2,24,31,32)
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>1.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against trypsin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50123043
PNG
(1-(3-Amino-4-chloro-phenyl)-1H-tetrazole-5-carboxy...)
Show SMILES Nc1cc(ccc1Cl)-n1nnnc1C(=O)Nc1ccc(cc1F)C(=O)N1CCCC1
Show InChI InChI=1S/C19H17ClFN7O2/c20-13-5-4-12(10-15(13)22)28-17(24-25-26-28)18(29)23-16-6-3-11(9-14(16)21)19(30)27-7-1-2-8-27/h3-6,9-10H,1-2,7-8,22H2,(H,23,29)
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>1.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against trypsin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50123036
PNG
(1-(3-Amino-4-chloro-phenyl)-1H-tetrazole-5-carboxy...)
Show SMILES Nc1cc(ccc1Cl)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C20H16ClN7O3S/c21-16-10-9-14(11-17(16)22)28-19(25-26-27-28)20(29)24-13-7-5-12(6-8-13)15-3-1-2-4-18(15)32(23,30)31/h1-11H,22H2,(H,24,29)(H2,23,30,31)
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>1.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against trypsin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50123031
PNG
(1-(3-Amino-4-methoxy-phenyl)-1H-tetrazole-5-carbox...)
Show SMILES COc1ccc(cc1N)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H19N7O4S/c1-32-18-11-10-15(12-17(18)22)28-20(25-26-27-28)21(29)24-14-8-6-13(7-9-14)16-4-2-3-5-19(16)33(23,30)31/h2-12H,22H2,1H3,(H,24,29)(H2,23,30,31)
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 4.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against thrombin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50123033
PNG
(1-(3-Amino-benzo[d]isoxazol-5-yl)-1H-tetrazole-5-c...)
Show SMILES Nc1noc2ccc(cc12)-n1nnnc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H15FN8O4S/c22-15-9-11(13-3-1-2-4-18(13)35(24,32)33)5-7-16(15)25-21(31)20-26-28-29-30(20)12-6-8-17-14(10-12)19(23)27-34-17/h1-10H,(H2,23,27)(H,25,31)(H2,24,32,33)
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>5.20E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against trypsin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50123040
PNG
(1-(3-Amino-4-chloro-phenyl)-1H-tetrazole-5-carboxy...)
Show SMILES Nc1cc(ccc1Cl)-n1nnnc1C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C19H15ClN8O3S/c20-14-7-6-12(9-15(14)21)28-18(25-26-27-28)19(29)24-17-8-5-11(10-23-17)13-3-1-2-4-16(13)32(22,30)31/h1-10H,21H2,(H2,22,30,31)(H,23,24,29)
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 7.90E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against thrombin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50123034
PNG
(1-(4-Methoxy-phenyl)-1H-tetrazole-5-carboxylic aci...)
Show SMILES COc1ccc(cc1)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H18N6O4S/c1-31-17-12-10-16(11-13-17)27-20(24-25-26-27)21(28)23-15-8-6-14(7-9-15)18-4-2-3-5-19(18)32(22,29)30/h2-13H,1H3,(H,23,28)(H2,22,29,30)
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 1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against thrombin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50123039
PNG
(1-(3-Amino-benzo[d]isoxazol-5-yl)-1H-tetrazole-5-c...)
Show SMILES Nc1noc2ccc(cc12)-n1nnnc1C(=O)Nc1ccc(cc1F)C(=O)N1CCCC1
Show InChI InChI=1S/C20H17FN8O3/c21-14-9-11(20(31)28-7-1-2-8-28)3-5-15(14)23-19(30)18-24-26-27-29(18)12-4-6-16-13(10-12)17(22)25-32-16/h3-6,9-10H,1-2,7-8H2,(H2,22,25)(H,23,30)
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>2.10E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against thrombin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50123042
PNG
(1-(3-Aminomethyl-phenyl)-1H-tetrazole-5-carboxylic...)
Show SMILES NCc1cccc(c1)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H19N7O3S/c22-13-14-4-3-5-17(12-14)28-20(25-26-27-28)21(29)24-16-10-8-15(9-11-16)18-6-1-2-7-19(18)32(23,30)31/h1-12H,13,22H2,(H,24,29)(H2,23,30,31)
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>2.10E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory constant against thrombin using human purified enzymes

Bioorg Med Chem Lett 13: 369-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BG2NC3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%