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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 492.6
BDBM173886
Wt: 450.5
BDBM173893
Wt: 478.5
BDBM173894
Wt: 492.6
BDBM173900
Wt: 464.5
BDBM173902
Wt: 506.6
BDBM173903
Wt: 490.5
BDBM173906
Wt: 400.5
BDBM173908
Wt: 499.6
BDBM173921
Wt: 511.6
BDBM173922
Wt: 451.5
BDBM173924
Wt: 491.5
BDBM173926
Wt: 524.6
BDBM173929
Wt: 508.6
BDBM173930
Wt: 416.5
BDBM173932
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 15 hits in this display   
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
Activated thrombin-activatable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM173886
PNG
(US9688645, 1-1)
Show SMILES CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2
Show InChI InChI=1S/C25H40N4O6/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(30)27-22)29-25(33)28-20(24(31)32)7-3-4-12-26/h8-11,17,20-22H,3-7,12-16,26H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)/t20-,21+,22+/m0/s1
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n/an/a 6n/an/an/an/a7.425



SANOFI

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 US9688645 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6HJ3
More data for this
Ligand-Target Pair
Activated thrombin-activatable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM173906
PNG
(US9688645, 3-1)
Show SMILES CC(C)[C@H]1COC\C=C\COc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2
Show InChI InChI=1S/C25H38N4O6/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(30)27-22)29-25(33)28-20(24(31)32)7-3-4-12-26/h5-6,8-11,17,20-22H,3-4,7,12-16,26H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)/b6-5+/t20-,21+,22+/m0/s1
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SANOFI

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 US9688645 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6HJ3
More data for this
Ligand-Target Pair
Activated thrombin-activatable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM173908
PNG
(US9688645, 4-1)
Show SMILES NCCCCC(NC(=O)N[C@@H]1CCCCCCCCOCCNC1=O)C(O)=O
Show InChI InChI=1S/C19H36N4O5/c20-11-7-6-10-16(18(25)26)23-19(27)22-15-9-5-3-1-2-4-8-13-28-14-12-21-17(15)24/h15-16H,1-14,20H2,(H,21,24)(H,25,26)(H2,22,23,27)/t15-,16?/m1/s1
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n/an/a 17n/an/an/an/a7.425



SANOFI

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 US9688645 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6HJ3
More data for this
Ligand-Target Pair
Activated thrombin-activatable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM173903
PNG
(US9688645, 1-9)
Show SMILES CC(C)(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2
Show InChI InChI=1S/C26H42N4O6/c1-26(2,3)22-17-35-14-6-7-15-36-19-11-9-18(10-12-19)16-21(23(31)30-22)29-25(34)28-20(24(32)33)8-4-5-13-27/h9-12,20-22H,4-8,13-17,27H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)/t20-,21+,22+/m0/s1
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n/an/a 19n/an/an/an/a7.425



SANOFI

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 US9688645 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6HJ3
More data for this
Ligand-Target Pair
Activated thrombin-activatable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM173922
PNG
(US9688645, 6-2)
Show SMILES CC(C)[C@H]1COCCCCc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2
Show InChI InChI=1S/C27H37N5O5/c1-17(2)23-16-37-12-4-3-5-18-6-8-19(9-7-18)13-21(25(33)30-23)31-27(36)32-22(26(34)35)14-20-10-11-24(28)29-15-20/h6-11,15,17,21-23H,3-5,12-14,16H2,1-2H3,(H2,28,29)(H,30,33)(H,34,35)(H2,31,32,36)/t21-,22+,23-/m1/s1
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n/an/a 21n/an/an/an/a7.425



SANOFI

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 US9688645 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6HJ3
More data for this
Ligand-Target Pair
Activated thrombin-activatable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM173926
PNG
(US9688645, 7-1)
Show SMILES CC(C)[C@H]1COCCC(=O)Nc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2
Show InChI InChI=1S/C24H37N5O6/c1-15(2)20-14-35-12-10-21(30)26-17-8-6-16(7-9-17)13-19(22(31)27-20)29-24(34)28-18(23(32)33)5-3-4-11-25/h6-9,15,18-20H,3-5,10-14,25H2,1-2H3,(H,26,30)(H,27,31)(H,32,33)(H2,28,29,34)/t18-,19+,20+/m0/s1
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n/an/a 22n/an/an/an/a7.425



SANOFI

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 US9688645 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6HJ3
More data for this
Ligand-Target Pair
Activated thrombin-activatable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM173929
PNG
(US9688645, 8-1)
Show SMILES CC(C)[C@H]1COCC(O)C(O)COc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2
Show InChI InChI=1S/C25H40N4O8/c1-15(2)20-12-36-13-21(30)22(31)14-37-17-8-6-16(7-9-17)11-19(23(32)27-20)29-25(35)28-18(24(33)34)5-3-4-10-26/h6-9,15,18-22,30-31H,3-5,10-14,26H2,1-2H3,(H,27,32)(H,33,34)(H2,28,29,35)/t18-,19+,20+,21?,22?/m0/s1
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n/an/a 23n/an/an/an/a7.425



SANOFI

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 US9688645 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6HJ3
More data for this
Ligand-Target Pair
Activated thrombin-activatable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM173902
PNG
(US9688645, 1-8)
Show SMILES C[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2
Show InChI InChI=1S/C23H36N4O6/c1-16-15-32-12-4-5-13-33-18-9-7-17(8-10-18)14-20(21(28)25-16)27-23(31)26-19(22(29)30)6-2-3-11-24/h7-10,16,19-20H,2-6,11-15,24H2,1H3,(H,25,28)(H,29,30)(H2,26,27,31)/t16-,19-,20+/m0/s1
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n/an/a 29n/an/an/an/a7.425



SANOFI

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 US9688645 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6HJ3
More data for this
Ligand-Target Pair
Activated thrombin-activatable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM173930
PNG
(US9688645, 8-2)
Show SMILES CC(C)[C@H]1COCC(O)CCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2
Show InChI InChI=1S/C25H40N4O7/c1-16(2)22-15-35-14-18(30)10-12-36-19-8-6-17(7-9-19)13-21(23(31)27-22)29-25(34)28-20(24(32)33)5-3-4-11-26/h6-9,16,18,20-22,30H,3-5,10-15,26H2,1-2H3,(H,27,31)(H,32,33)(H2,28,29,34)/t18?,20-,21+,22+/m0/s1
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n/an/a 33n/an/an/an/a7.425



SANOFI

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 US9688645 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6HJ3
More data for this
Ligand-Target Pair
Activated thrombin-activatable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM173900
PNG
(US9688645, 1-7)
Show SMILES CCC[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2
Show InChI InChI=1S/C25H40N4O6/c1-2-7-19-17-34-14-5-6-15-35-20-11-9-18(10-12-20)16-22(23(30)27-19)29-25(33)28-21(24(31)32)8-3-4-13-26/h9-12,19,21-22H,2-8,13-17,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t19-,21-,22+/m0/s1
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n/an/a 49n/an/an/an/a7.425



SANOFI

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 US9688645 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6HJ3
More data for this
Ligand-Target Pair
Activated thrombin-activatable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM173921
PNG
(US9688645, 6-1)
Show SMILES CC(C)[C@H]1COCCCCC2=CC(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)=CC2
Show InChI InChI=1S/C26H37N5O5/c1-16(2)22-15-36-10-4-3-5-17-6-7-18(11-17)12-20(24(32)29-22)30-26(35)31-21(25(33)34)13-19-8-9-23(27)28-14-19/h7-9,11,14,16,20-22H,3-6,10,12-13,15H2,1-2H3,(H2,27,28)(H,29,32)(H,33,34)(H2,30,31,35)/t20-,21+,22-/m1/s1
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n/an/a 52n/an/an/an/a7.425



SANOFI

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 US9688645 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6HJ3
More data for this
Ligand-Target Pair
Activated thrombin-activatable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM173932
PNG
(US9688645, 6-6)
Show SMILES CC(C)[C@H]1COCCCCOC[C@@H](NC(=O)N[C@H](CCCCN)C(O)=O)C(=O)N1
Show InChI InChI=1S/C19H36N4O6/c1-13(2)15-11-28-9-5-6-10-29-12-16(17(24)21-15)23-19(27)22-14(18(25)26)7-3-4-8-20/h13-16H,3-12,20H2,1-2H3,(H,21,24)(H,25,26)(H2,22,23,27)/t14-,15-,16-/m1/s1
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n/an/a 53n/an/an/an/a7.425



SANOFI

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 US9688645 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6HJ3
More data for this
Ligand-Target Pair
Activated thrombin-activatable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM173924
PNG
(US9688645, 6-4)
Show SMILES CC(C)[C@H]1COCCCCOC[C@@H](NC(=O)N[C@H](Cc2ccc(N)nc2)C(O)=O)C(=O)N1
Show InChI InChI=1S/C21H33N5O6/c1-13(2)16-11-31-7-3-4-8-32-12-17(19(27)24-16)26-21(30)25-15(20(28)29)9-14-5-6-18(22)23-10-14/h5-6,10,13,15-17H,3-4,7-9,11-12H2,1-2H3,(H2,22,23)(H,24,27)(H,28,29)(H2,25,26,30)/t15-,16-,17-/m1/s1
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SANOFI

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 US9688645 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6HJ3
More data for this
Ligand-Target Pair
Activated thrombin-activatable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM173894
PNG
(US9688645, 1-3)
Show SMILES CC1(C)COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2
Show InChI InChI=1S/C24H38N4O6/c1-24(2)16-33-13-5-6-14-34-18-10-8-17(9-11-18)15-20(21(29)28-24)27-23(32)26-19(22(30)31)7-3-4-12-25/h8-11,19-20H,3-7,12-16,25H2,1-2H3,(H,28,29)(H,30,31)(H2,26,27,32)/t19-,20+/m0/s1
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SANOFI

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 US9688645 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6HJ3
More data for this
Ligand-Target Pair
Activated thrombin-activatable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM173893
PNG
(US9688645, 1-2)
Show SMILES NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOCCNC1=O)cc2)C(O)=O
Show InChI InChI=1S/C22H34N4O6/c23-10-2-1-5-18(21(28)29)25-22(30)26-19-15-16-6-8-17(9-7-16)32-13-4-3-12-31-14-11-24-20(19)27/h6-9,18-19H,1-5,10-15,23H2,(H,24,27)(H,28,29)(H2,25,26,30)/t18-,19+/m0/s1
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SANOFI

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 US9688645 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6HJ3
More data for this
Ligand-Target Pair