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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 100   
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
Carboxypeptidase B2


(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 |r|
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
Carboxypeptidase B2


(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 |r,t:7|
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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n/an/a 7.70n/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
Carboxypeptidase B2


(Homo sapiens (Human))		BDBM173904
PNG
(US9688645, 2-1)
Show SMILES CC(C)[C@H]1COCCCCCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2 |r|
Show InChI InChI=1S/C29H48N4O6/c1-21(2)26-20-38-17-9-5-3-4-6-10-18-39-23-14-12-22(13-15-23)19-25(27(34)31-26)33-29(37)32-24(28(35)36)11-7-8-16-30/h12-15,21,24-26H,3-11,16-20,30H2,1-2H3,(H,31,34)(H,35,36)(H2,32,33,37)/t24-,25+,26+/m0/s1
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n/an/a 8.80n/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
Carboxypeptidase B2


(Homo sapiens (Human))		BDBM173918
PNG
(US9688645, 5-2)
Show SMILES CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2 |r|
Show InChI InChI=1S/C27H37N5O6/c1-17(2)23-16-37-11-3-4-12-38-20-8-5-18(6-9-20)13-21(25(33)30-23)31-27(36)32-22(26(34)35)14-19-7-10-24(28)29-15-19/h5-10,15,17,21-23H,3-4,11-14,16H2,1-2H3,(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 9n/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
Carboxypeptidase B2


(Homo sapiens (Human))		BDBM173923
PNG
(US9688645, 6-3)
Show SMILES CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2F |r|
Show InChI InChI=1S/C27H36FN5O6/c1-16(2)22-15-38-9-3-4-10-39-23-7-5-17(11-19(23)28)12-20(25(34)31-22)32-27(37)33-21(26(35)36)13-18-6-8-24(29)30-14-18/h5-8,11,14,16,20-22H,3-4,9-10,12-13,15H2,1-2H3,(H2,29,30)(H,31,34)(H,35,36)(H2,32,33,37)/t20-,21+,22-/m1/s1
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n/an/a 12n/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
Carboxypeptidase B2


(Homo sapiens (Human))		BDBM173908
PNG
(US9688645, 4-1)
Show SMILES NCCCCC(NC(=O)N[C@@H]1CCCCCCCCOCCNC1=O)C(O)=O |r|
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
Carboxypeptidase B2


(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 |r|
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
Carboxypeptidase B2


(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 |r|
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
Carboxypeptidase B2


(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 |r|
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
Carboxypeptidase B2


(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 |r|
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
Carboxypeptidase B2


(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 |r|
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
Carboxypeptidase B2


(Homo sapiens (Human))		BDBM173920
PNG
(US9688645, 5-3)
Show SMILES Nc1ccc(C[C@H](NC(=O)N[C@@H]2Cc3ccc(OCCCCOC[C@@H](NC2=O)C2CC2)cc3)C(O)=O)cn1 |r|
Show InChI InChI=1S/C27H35N5O6/c28-24-10-5-18(15-29-24)14-22(26(34)35)32-27(36)31-21-13-17-3-8-20(9-4-17)38-12-2-1-11-37-16-23(19-6-7-19)30-25(21)33/h3-5,8-10,15,19,21-23H,1-2,6-7,11-14,16H2,(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 32n/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
Carboxypeptidase B2


(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 |r|
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
Carboxypeptidase B2


(Homo sapiens (Human))		BDBM173928
PNG
(US9688645, 7-4)
Show SMILES CC(C)[C@H]1COCCNC(=O)c2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2 |r|
Show InChI InChI=1S/C26H34N6O6/c1-15(2)21-14-38-10-9-28-23(33)18-6-3-16(4-7-18)11-19(24(34)30-21)31-26(37)32-20(25(35)36)12-17-5-8-22(27)29-13-17/h3-8,13,15,19-21H,9-12,14H2,1-2H3,(H2,27,29)(H,28,33)(H,30,34)(H,35,36)(H2,31,32,37)/t19-,20+,21-/m1/s1
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n/an/a 40n/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
Carboxypeptidase B2


(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 |r|
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
Carboxypeptidase B2


(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 |r,c:35,t:10|
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
Carboxypeptidase B2


(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 |r|
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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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
Carboxypeptidase B2


(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 |r|
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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n/an/a 55n/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
Carboxypeptidase B2


(Homo sapiens (Human))		BDBM173931
PNG
(US9688645, 8-3)
Show SMILES CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2 |r|
Show InChI InChI=1S/C24H40N4O7S/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(29)26-22)28-36(32,33)27-20(24(30)31)7-3-4-12-25/h8-11,17,20-22,27-28H,3-7,12-16,25H2,1-2H3,(H,26,29)(H,30,31)/t20-,21+,22+/m0/s1
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n/an/a 59n/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
Carboxypeptidase B2


(Homo sapiens (Human))		BDBM173897
PNG
(US9688645, 1-4)
Show SMILES NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@@H](NC1=O)c1ccccc1)cc2)C(O)=O |r|
Show InChI InChI=1S/C28H38N4O6/c29-15-5-4-10-23(27(34)35)31-28(36)32-24-18-20-11-13-22(14-12-20)38-17-7-6-16-37-19-25(30-26(24)33)21-8-2-1-3-9-21/h1-3,8-9,11-14,23-25H,4-7,10,15-19,29H2,(H,30,33)(H,34,35)(H2,31,32,36)/t23-,24+,25+/m0/s1
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n/an/a 71n/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
Carboxypeptidase B2


(Homo sapiens (Human))		BDBM173898
PNG
(US9688645, 1-5)
Show SMILES NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@H](Cc3ccccc3)NC1=O)cc2)C(O)=O |r|
Show InChI InChI=1S/C29H40N4O6/c30-15-5-4-10-25(28(35)36)32-29(37)33-26-19-22-11-13-24(14-12-22)39-17-7-6-16-38-20-23(31-27(26)34)18-21-8-2-1-3-9-21/h1-3,8-9,11-14,23,25-26H,4-7,10,15-20,30H2,(H,31,34)(H,35,36)(H2,32,33,37)/t23-,25-,26+/m0/s1
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n/an/a 105n/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
Carboxypeptidase B2


(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 |r|
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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n/an/a 269n/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
Carboxypeptidase B2


(Homo sapiens (Human))		BDBM173911
PNG
(US9688645, 5-1)
Show SMILES CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CS(=O)(=O)CCN)C(O)=O)C(=O)N1)cc2 |r|
Show InChI InChI=1S/C24H38N4O8S/c1-16(2)20-14-35-10-3-4-11-36-18-7-5-17(6-8-18)13-19(22(29)26-20)27-24(32)28-21(23(30)31)15-37(33,34)12-9-25/h5-8,16,19-21H,3-4,9-15,25H2,1-2H3,(H,26,29)(H,30,31)(H2,27,28,32)/t19-,20-,21+/m1/s1
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n/an/a 649n/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
Carboxypeptidase B2


(Homo sapiens (Human))		BDBM173899
PNG
(US9688645, 1-6)
Show SMILES NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@@H](NC1=O)C1CCCCC1)cc2)C(O)=O |r|
Show InChI InChI=1S/C28H44N4O6/c29-15-5-4-10-23(27(34)35)31-28(36)32-24-18-20-11-13-22(14-12-20)38-17-7-6-16-37-19-25(30-26(24)33)21-8-2-1-3-9-21/h11-14,21,23-25H,1-10,15-19,29H2,(H,30,33)(H,34,35)(H2,31,32,36)/t23-,24+,25+/m0/s1
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n/an/a 811n/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
Carboxypeptidase B2


(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 |r|
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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n/an/a 9.04E+3n/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