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Patent code US8710232

Compile Data Set for Download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Carboxypeptidase B


(Homo sapiens (Human))		BDBM120796
PNG
(US8710232, 33)
Show SMILES CC1(C)CCC(CC1)n1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C19H26N4O2/c1-19(2)7-5-14(6-8-19)23-11-16(22-12-23)15(18(24)25)9-13-3-4-17(20)21-10-13/h3-4,10-12,14-15H,5-9H2,1-2H3,(H2,20,21)(H,24,25)
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n/an/a 3n/an/an/an/a7.425



Sanofi-Aventis Deutschland GmbH

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI activity kit from American Diagnostica (Pr. No. 874). This ...

US Patent US8710232 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DQ4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM120790
PNG
(US8710232, 17)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(CC3CCCN(C3)C(=O)C(c3ccccc3)c3ccccc3)cn2)cn1
Show InChI InChI=1S/C31H33N5O3/c32-28-14-13-22(17-33-28)16-26(31(38)39)27-20-35(21-34-27)18-23-8-7-15-36(19-23)30(37)29(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-14,17,20-21,23,26,29H,7-8,15-16,18-19H2,(H2,32,33)(H,38,39)
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n/an/a 11n/an/an/an/a7.425



Sanofi-Aventis Deutschland GmbH

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI activity kit from American Diagnostica (Pr. No. 874). This ...

US Patent US8710232 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DQ4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM120787
PNG
(US8710232, 13)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(CCC3CCN(CC3)C(=O)C(c3ccccc3)c3ccccc3)cn2)cn1
Show InChI InChI=1S/C32H35N5O3/c33-29-12-11-24(20-34-29)19-27(32(39)40)28-21-36(22-35-28)16-13-23-14-17-37(18-15-23)31(38)30(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-12,20-23,27,30H,13-19H2,(H2,33,34)(H,39,40)
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n/an/a 12n/an/an/an/a7.425



Sanofi-Aventis Deutschland GmbH

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI activity kit from American Diagnostica (Pr. No. 874). This ...

US Patent US8710232 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DQ4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM120788
PNG
(US8710232, 15)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(CC3CCCCN3C(=O)c3ccccc3)cn2)cn1
Show InChI InChI=1S/C24H27N5O3/c25-22-10-9-17(13-26-22)12-20(24(31)32)21-15-28(16-27-21)14-19-8-4-5-11-29(19)23(30)18-6-2-1-3-7-18/h1-3,6-7,9-10,13,15-16,19-20H,4-5,8,11-12,14H2,(H2,25,26)(H,31,32)
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n/an/a 12n/an/an/an/a7.425



Sanofi-Aventis Deutschland GmbH

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI activity kit from American Diagnostica (Pr. No. 874). This ...

US Patent US8710232 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DQ4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM120786
PNG
(US8710232, 12)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(cn2)-c2ccc(NC(=O)Nc3ccccc3)cc2)cn1
Show InChI InChI=1S/C24H22N6O3/c25-22-11-6-16(13-26-22)12-20(23(31)32)21-14-30(15-27-21)19-9-7-18(8-10-19)29-24(33)28-17-4-2-1-3-5-17/h1-11,13-15,20H,12H2,(H2,25,26)(H,31,32)(H2,28,29,33)
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n/an/a 15n/an/an/an/a7.425



Sanofi-Aventis Deutschland GmbH

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI activity kit from American Diagnostica (Pr. No. 874). This ...

US Patent US8710232 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DQ4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM120782
PNG
(US8710232, 7)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(cn2)C2CCCC2)cn1
Show InChI InChI=1S/C16H20N4O2/c17-15-6-5-11(8-18-15)7-13(16(21)22)14-9-20(10-19-14)12-3-1-2-4-12/h5-6,8-10,12-13H,1-4,7H2,(H2,17,18)(H,21,22)
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n/an/a 16n/an/an/an/a7.425



Sanofi-Aventis Deutschland GmbH

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI activity kit from American Diagnostica (Pr. No. 874). This ...

US Patent US8710232 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DQ4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM120791
PNG
(US8710232, 18)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(CCC3CCN(CC3)C(=O)CCc3ccccc3)cn2)cn1
Show InChI InChI=1S/C27H33N5O3/c28-25-8-6-22(17-29-25)16-23(27(34)35)24-18-31(19-30-24)13-10-21-11-14-32(15-12-21)26(33)9-7-20-4-2-1-3-5-20/h1-6,8,17-19,21,23H,7,9-16H2,(H2,28,29)(H,34,35)
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n/an/a 21n/an/an/an/a7.425



Sanofi-Aventis Deutschland GmbH

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI activity kit from American Diagnostica (Pr. No. 874). This ...

US Patent US8710232 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DQ4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM120785
PNG
(US8710232, 10)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(CC(=O)NC(c3ccccc3)c3ccccc3)cn2)cn1
Show InChI InChI=1S/C26H25N5O3/c27-23-12-11-18(14-28-23)13-21(26(33)34)22-15-31(17-29-22)16-24(32)30-25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,14-15,17,21,25H,13,16H2,(H2,27,28)(H,30,32)(H,33,34)
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n/an/a 23n/an/an/an/a7.425



Sanofi-Aventis Deutschland GmbH

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI activity kit from American Diagnostica (Pr. No. 874). This ...

US Patent US8710232 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DQ4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM120781
PNG
(US8710232, 1)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(cn2)C2CCCCC2)cn1
Show InChI InChI=1S/C17H22N4O2/c18-16-7-6-12(9-19-16)8-14(17(22)23)15-10-21(11-20-15)13-4-2-1-3-5-13/h6-7,9-11,13-14H,1-5,8H2,(H2,18,19)(H,22,23)
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n/an/a 30n/an/an/an/a7.425



Sanofi-Aventis Deutschland GmbH

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI activity kit from American Diagnostica (Pr. No. 874). This ...

US Patent US8710232 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DQ4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM120789
PNG
(US8710232, 16)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(CCC3CCCN(C3)C(=O)CCc3ccccc3)cn2)cn1
Show InChI InChI=1S/C27H33N5O3/c28-25-10-8-22(16-29-25)15-23(27(34)35)24-18-31(19-30-24)14-12-21-7-4-13-32(17-21)26(33)11-9-20-5-2-1-3-6-20/h1-3,5-6,8,10,16,18-19,21,23H,4,7,9,11-15,17H2,(H2,28,29)(H,34,35)
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n/an/a 38n/an/an/an/a7.425



Sanofi-Aventis Deutschland GmbH

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI activity kit from American Diagnostica (Pr. No. 874). This ...

US Patent US8710232 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DQ4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM120797
PNG
(US8710232, 37)
Show SMILES CCCNC(=O)Nc1ccc(cc1)-n1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C21H24N6O3/c1-2-9-23-21(30)26-15-4-6-16(7-5-15)27-12-18(25-13-27)17(20(28)29)10-14-3-8-19(22)24-11-14/h3-8,11-13,17H,2,9-10H2,1H3,(H2,22,24)(H,28,29)(H2,23,26,30)
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n/an/a 49n/an/an/an/a7.425



Sanofi-Aventis Deutschland GmbH

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI activity kit from American Diagnostica (Pr. No. 874). This ...

US Patent US8710232 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DQ4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM120784
PNG
(US8710232, 9)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(cn2)C2CCN(C2=O)c2ccccc2)cn1
Show InChI InChI=1S/C21H21N5O3/c22-19-7-6-14(11-23-19)10-16(21(28)29)17-12-25(13-24-17)18-8-9-26(20(18)27)15-4-2-1-3-5-15/h1-7,11-13,16,18H,8-10H2,(H2,22,23)(H,28,29)
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n/an/a 439n/an/an/an/a7.425



Sanofi-Aventis Deutschland GmbH

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI activity kit from American Diagnostica (Pr. No. 874). This ...

US Patent US8710232 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DQ4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM120795
PNG
(US8710232, 31)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(CC#C)cn2)cn1
Show InChI InChI=1S/C14H14N4O2/c1-2-5-18-8-12(17-9-18)11(14(19)20)6-10-3-4-13(15)16-7-10/h1,3-4,7-9,11H,5-6H2,(H2,15,16)(H,19,20)
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n/an/a 870n/an/an/an/a7.425



Sanofi-Aventis Deutschland GmbH

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI activity kit from American Diagnostica (Pr. No. 874). This ...

US Patent US8710232 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DQ4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM120793
PNG
(US8710232, 27)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(Cc3csc4ccc(Cl)cc34)cn2)cn1
Show InChI InChI=1S/C20H17ClN4O2S/c21-14-2-3-18-15(6-14)13(10-28-18)8-25-9-17(24-11-25)16(20(26)27)5-12-1-4-19(22)23-7-12/h1-4,6-7,9-11,16H,5,8H2,(H2,22,23)(H,26,27)
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n/an/a 1.11E+3n/an/an/an/a7.425



Sanofi-Aventis Deutschland GmbH

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI activity kit from American Diagnostica (Pr. No. 874). This ...

US Patent US8710232 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DQ4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM120783
PNG
(US8710232, 8)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(cn2)C2CCNCC2)cn1
Show InChI InChI=1S/C16H21N5O2/c17-15-2-1-11(8-19-15)7-13(16(22)23)14-9-21(10-20-14)12-3-5-18-6-4-12/h1-2,8-10,12-13,18H,3-7H2,(H2,17,19)(H,22,23)
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n/an/a 1.13E+3n/an/an/an/a7.425



Sanofi-Aventis Deutschland GmbH

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI activity kit from American Diagnostica (Pr. No. 874). This ...

US Patent US8710232 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DQ4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM120794
PNG
(US8710232, 28)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(Cc3cccc(Oc4ccc(F)cc4)c3)cn2)cn1
Show InChI InChI=1S/C24H21FN4O3/c25-18-5-7-19(8-6-18)32-20-3-1-2-17(10-20)13-29-14-22(28-15-29)21(24(30)31)11-16-4-9-23(26)27-12-16/h1-10,12,14-15,21H,11,13H2,(H2,26,27)(H,30,31)
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n/an/a 1.44E+3n/an/an/an/a7.425



Sanofi-Aventis Deutschland GmbH

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI activity kit from American Diagnostica (Pr. No. 874). This ...

US Patent US8710232 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DQ4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM120792
PNG
(US8710232, 25)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(Cc3ccc(OC(F)(F)F)cc3)cn2)cn1
Show InChI InChI=1S/C19H17F3N4O3/c20-19(21,22)29-14-4-1-12(2-5-14)9-26-10-16(25-11-26)15(18(27)28)7-13-3-6-17(23)24-8-13/h1-6,8,10-11,15H,7,9H2,(H2,23,24)(H,27,28)
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n/an/a 1.05E+4n/an/an/an/a7.425



Sanofi-Aventis Deutschland GmbH

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI activity kit from American Diagnostica (Pr. No. 874). This ...

US Patent US8710232 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DQ4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%