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Compile Data Set for Download or QSAR

Found 245 hits with Last Name = 'meneyrol' and Initial = 'j'   
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))
BDBM7840
PNG
(RIVAROXABAN | US8822458, 44 | US8822458, 97)
Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
Show InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of factor-10a (unknown origin)


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50443853
PNG
(CHEMBL3091519)
Show SMILES CN1CCN(CC1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCC2=O)c1C |r|
Show InChI InChI=1S/C24H30ClN5O5S2/c1-16-18(30-10-4-7-22(30)31)5-3-6-20(16)37(34,35)27-17(24(33)29-13-11-28(2)12-14-29)15-26-23(32)19-8-9-21(25)36-19/h3,5-6,8-9,17,27H,4,7,10-15H2,1-2H3,(H,26,32)/t17-/m0/s1
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1n/an/an/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112086
PNG
(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1
Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)
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>1.00E+3n/an/an/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of factor-10a (unknown origin)


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50443853
PNG
(CHEMBL3091519)
Show SMILES CN1CCN(CC1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCC2=O)c1C |r|
Show InChI InChI=1S/C24H30ClN5O5S2/c1-16-18(30-10-4-7-22(30)31)5-3-6-20(16)37(34,35)27-17(24(33)29-13-11-28(2)12-14-29)15-26-23(32)19-8-9-21(25)36-19/h3,5-6,8-9,17,27H,4,7,10-15H2,1-2H3,(H,26,32)/t17-/m0/s1
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3.60E+3n/an/an/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of t-PA (unknown origin)


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443855
PNG
(CHEMBL3091517)
Show SMILES [#6]-[#6](=O)-[#7]-c1c(cccc1S(=O)(=O)[#7]-[#6@@H](-[#6]-[#6]-[#6]-c1ccc(-[#7])cn1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/F)F)-c1ccccc1 |r|
Show InChI InChI=1S/C30H33F2N5O4S/c1-20(38)35-28-25(21-7-3-2-4-8-21)10-6-12-27(28)42(40,41)36-26(11-5-9-24-14-13-23(33)19-34-24)30(39)37-17-15-22(16-18-37)29(31)32/h2-4,6-8,10,12-14,19,26,36H,5,9,11,15-18,33H2,1H3,(H,35,38)/t26-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of factor-10a (unknown origin)


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50443853
PNG
(CHEMBL3091519)
Show SMILES CN1CCN(CC1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCC2=O)c1C |r|
Show InChI InChI=1S/C24H30ClN5O5S2/c1-16-18(30-10-4-7-22(30)31)5-3-6-20(16)37(34,35)27-17(24(33)29-13-11-28(2)12-14-29)15-26-23(32)19-8-9-21(25)36-19/h3,5-6,8-9,17,27H,4,7,10-15H2,1-2H3,(H,26,32)/t17-/m0/s1
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2.90E+4n/an/an/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin)


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443857
PNG
(CHEMBL3091501)
Show SMILES CN(C)[C@H]1CCN(C1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCCC2=O)c1OC(F)F |r|
Show InChI InChI=1S/C26H32ClF2N5O6S2/c1-32(2)16-11-13-33(15-16)25(37)17(14-30-24(36)19-9-10-21(27)41-19)31-42(38,39)20-7-5-6-18(23(20)40-26(28)29)34-12-4-3-8-22(34)35/h5-7,9-10,16-17,26,31H,3-4,8,11-15H2,1-2H3,(H,30,36)/t16-,17-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50443858
PNG
(CHEMBL3091502)
Show SMILES CN1CCN(CC1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cc(F)cc(N2CCCCC2=O)c1Cl |r|
Show InChI InChI=1S/C24H28Cl2FN5O5S2/c1-30-8-10-31(11-9-30)24(35)16(14-28-23(34)18-5-6-20(25)38-18)29-39(36,37)19-13-15(27)12-17(22(19)26)32-7-3-2-4-21(32)33/h5-6,12-13,16,29H,2-4,7-11,14H2,1H3,(H,28,34)/t16-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50443846
PNG
(CHEMBL3091527)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCOC[C@@H]1C)N1CCCC1=O |r|
Show InChI InChI=1S/C25H31ClN4O6S2/c1-3-17-19(30-11-5-8-23(30)31)6-4-7-21(17)38(34,35)28-18(25(33)29-12-13-36-15-16(29)2)14-27-24(32)20-9-10-22(26)37-20/h4,6-7,9-10,16,18,28H,3,5,8,11-15H2,1-2H3,(H,27,32)/t16-,18-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443847
PNG
(CHEMBL3091526)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCOC[C@@H]1C)N1CCCCC1=O |r|
Show InChI InChI=1S/C26H33ClN4O6S2/c1-3-18-20(31-12-5-4-9-24(31)32)7-6-8-22(18)39(35,36)29-19(26(34)30-13-14-37-16-17(30)2)15-28-25(33)21-10-11-23(27)38-21/h6-8,10-11,17,19,29H,3-5,9,12-16H2,1-2H3,(H,28,33)/t17-,19-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50100263
PNG
(CHEMBL3326907)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(O)=O)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C26H26N4O4/c1-4-5-24(31)21-13-27-30(17(21)3)19-9-7-18(8-10-19)28-26(34)22-14-29(15-25(32)33)23-11-6-16(2)12-20(22)23/h6-14H,4-5,15H2,1-3H3,(H,28,34)(H,32,33)
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n/an/a 0.900n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443844
PNG
(CHEMBL3091506)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCOCC1)N1CCOCC1=O |r|
Show InChI InChI=1S/C24H29ClN4O7S2/c1-2-16-18(29-10-13-36-15-22(29)30)4-3-5-20(16)38(33,34)27-17(24(32)28-8-11-35-12-9-28)14-26-23(31)19-6-7-21(25)37-19/h3-7,17,27H,2,8-15H2,1H3,(H,26,31)/t17-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443861
PNG
(CHEMBL3091515)
Show SMILES CN1CCN(CC1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCC2=O)c1Cl |r|
Show InChI InChI=1S/C23H27Cl2N5O5S2/c1-28-10-12-29(13-11-28)23(33)15(14-26-22(32)17-7-8-19(24)36-17)27-37(34,35)18-5-2-4-16(21(18)25)30-9-3-6-20(30)31/h2,4-5,7-8,15,27H,3,6,9-14H2,1H3,(H,26,32)/t15-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443853
PNG
(CHEMBL3091519)
Show SMILES CN1CCN(CC1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCC2=O)c1C |r|
Show InChI InChI=1S/C24H30ClN5O5S2/c1-16-18(30-10-4-7-22(30)31)5-3-6-20(16)37(34,35)27-17(24(33)29-13-11-28(2)12-14-29)15-26-23(32)19-8-9-21(25)36-19/h3,5-6,8-9,17,27H,4,7,10-15H2,1-2H3,(H,26,32)/t17-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443848
PNG
(CHEMBL3091525)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCOC[C@@H]1C)-c1ccccn1 |r|
Show InChI InChI=1S/C26H29ClN4O5S2/c1-3-18-19(20-8-4-5-12-28-20)7-6-9-23(18)38(34,35)30-21(26(33)31-13-14-36-16-17(31)2)15-29-25(32)22-10-11-24(27)37-22/h4-12,17,21,30H,3,13-16H2,1-2H3,(H,29,32)/t17-,21-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443862
PNG
(CHEMBL3091514)
Show SMILES CN1CCN(CC1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCOCC2=O)c1Cl |r|
Show InChI InChI=1S/C23H27Cl2N5O6S2/c1-28-7-9-29(10-8-28)23(33)15(13-26-22(32)17-5-6-19(24)37-17)27-38(34,35)18-4-2-3-16(21(18)25)30-11-12-36-14-20(30)31/h2-6,15,27H,7-14H2,1H3,(H,26,32)/t15-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443869
PNG
(CHEMBL3091507)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCCCC1)N1CCOCC1=O |r|
Show InChI InChI=1S/C25H31ClN4O6S2/c1-2-17-19(30-13-14-36-16-23(30)31)7-6-8-21(17)38(34,35)28-18(25(33)29-11-4-3-5-12-29)15-27-24(32)20-9-10-22(26)37-20/h6-10,18,28H,2-5,11-16H2,1H3,(H,27,32)/t18-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443867
PNG
(CHEMBL3091509)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCN(C)CC1)N1CCOCC1=O |r|
Show InChI InChI=1S/C25H32ClN5O6S2/c1-3-17-19(31-13-14-37-16-23(31)32)5-4-6-21(17)39(35,36)28-18(25(34)30-11-9-29(2)10-12-30)15-27-24(33)20-7-8-22(26)38-20/h4-8,18,28H,3,9-16H2,1-2H3,(H,27,33)/t18-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443865
PNG
(CHEMBL3091511)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCC(CC1)OC)N1CCOCC1=O |r|
Show InChI InChI=1S/C26H33ClN4O7S2/c1-3-18-20(31-13-14-38-16-24(31)32)5-4-6-22(18)40(35,36)29-19(15-28-25(33)21-7-8-23(27)39-21)26(34)30-11-9-17(37-2)10-12-30/h4-8,17,19,29H,3,9-16H2,1-2H3,(H,28,33)/t19-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443864
PNG
(CHEMBL3091512)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCC(O)CC1)N1CCOCC1=O |r|
Show InChI InChI=1S/C25H31ClN4O7S2/c1-2-17-19(30-12-13-37-15-23(30)32)4-3-5-21(17)39(35,36)28-18(25(34)29-10-8-16(31)9-11-29)14-27-24(33)20-6-7-22(26)38-20/h3-7,16,18,28,31H,2,8-15H2,1H3,(H,27,33)/t18-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443856
PNG
(CHEMBL3091503)
Show SMILES CN1CCN(CC1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCOCC2=O)c1C |r|
Show InChI InChI=1S/C24H30ClN5O6S2/c1-16-18(30-12-13-36-15-22(30)31)4-3-5-20(16)38(34,35)27-17(24(33)29-10-8-28(2)9-11-29)14-26-23(32)19-6-7-21(25)37-19/h3-7,17,27H,8-15H2,1-2H3,(H,26,32)/t17-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443845
PNG
(CHEMBL3091528)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCOC[C@@H]1C)N1CCOCC1=O |r|
Show InChI InChI=1S/C25H31ClN4O7S2/c1-3-17-19(30-10-12-37-15-23(30)31)5-4-6-21(17)39(34,35)28-18(25(33)29-9-11-36-14-16(29)2)13-27-24(32)20-7-8-22(26)38-20/h4-8,16,18,28H,3,9-15H2,1-2H3,(H,27,32)/t16-,18-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443866
PNG
(CHEMBL3091510)
Show SMILES C[C@H]1COCCN1C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCOCC2=O)c1C |r|
Show InChI InChI=1S/C24H29ClN4O7S2/c1-15-13-35-10-8-28(15)24(32)17(12-26-23(31)19-6-7-21(25)37-19)27-38(33,34)20-5-3-4-18(16(20)2)29-9-11-36-14-22(29)30/h3-7,15,17,27H,8-14H2,1-2H3,(H,26,31)/t15-,17-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443860
PNG
(CHEMBL3091505)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](Cc1cc(on1)-c1ccc(Cl)s1)C(=O)N1CCC(CC1)OC)N1CCOCC1=O |r|
Show InChI InChI=1S/C28H33ClN4O7S2/c1-3-20-22(33-13-14-39-17-27(33)34)5-4-6-25(20)42(36,37)31-21(28(35)32-11-9-19(38-2)10-12-32)15-18-16-23(40-30-18)24-7-8-26(29)41-24/h4-8,16,19,21,31H,3,9-15,17H2,1-2H3/t21-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50328705
PNG
(CHEMBL1270156 | Tanogitran)
Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)[C@@](C)(NCC(O)=O)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C25H31N7O3/c1-25(29-15-22(33)34,24(35)32-11-3-4-12-32)17-7-10-20-19(13-17)30-21(31(20)2)14-28-18-8-5-16(6-9-18)23(26)27/h5-10,13,28-29H,3-4,11-12,14-15H2,1-2H3,(H3,26,27)(H,33,34)/t25-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of factor-10a (unknown origin)


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443863
PNG
(CHEMBL3091513)
Show SMILES OC1CCN(CC1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCOCC2=O)c1Cl |r|
Show InChI InChI=1S/C23H26Cl2N4O7S2/c24-19-5-4-17(37-19)22(32)26-12-15(23(33)28-8-6-14(30)7-9-28)27-38(34,35)18-3-1-2-16(21(18)25)29-10-11-36-13-20(29)31/h1-5,14-15,27,30H,6-13H2,(H,26,32)/t15-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443859
PNG
(CHEMBL3091504)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](Cc1cc(on1)-c1ccc(Cl)s1)C(=O)N1CCC(O)CC1)N1CCOCC1=O |r|
Show InChI InChI=1S/C27H31ClN4O7S2/c1-2-19-21(32-12-13-38-16-26(32)34)4-3-5-24(19)41(36,37)30-20(27(35)31-10-8-18(33)9-11-31)14-17-15-22(39-29-17)23-6-7-25(28)40-23/h3-7,15,18,20,30,33H,2,8-14,16H2,1H3/t20-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443868
PNG
(CHEMBL3091508)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCC(C)CC1)N1CCOCC1=O |r|
Show InChI InChI=1S/C26H33ClN4O6S2/c1-3-18-20(31-13-14-37-16-24(31)32)5-4-6-22(18)39(35,36)29-19(26(34)30-11-9-17(2)10-12-30)15-28-25(33)21-7-8-23(27)38-21/h4-8,17,19,29H,3,9-16H2,1-2H3,(H,28,33)/t19-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50100269
PNG
(CHEMBL3325627)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(O)=O)c3cc(C)c(C)cc23)cc1
Show InChI InChI=1S/C27H28N4O4/c1-5-6-25(32)22-13-28-31(18(22)4)20-9-7-19(8-10-20)29-27(35)23-14-30(15-26(33)34)24-12-17(3)16(2)11-21(23)24/h7-14H,5-6,15H2,1-4H3,(H,29,35)(H,33,34)
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n/an/a 5.10n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50100245
PNG
(CHEMBL3325894)
Show SMILES CCCC(=O)c1cnn(C2CCN(CC2)NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)c1C
Show InChI InChI=1S/C29H38ClN7O3/c1-4-5-27(38)24-17-31-37(20(24)2)22-8-10-36(11-9-22)32-29(40)25-18-35(26-7-6-21(30)16-23(25)26)19-28(39)34-14-12-33(3)13-15-34/h6-7,16-18,22H,4-5,8-15,19H2,1-3H3,(H,32,40)
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n/an/a 7n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50100195
PNG
(CHEMBL3325805)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN4CCN(C)C(=O)C4C3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1/C33H36ClN7O4/c1-4-5-30(42)26-17-35-41(21(26)2)24-9-7-23(8-10-24)36-32(44)27-18-40(28-11-6-22(34)16-25(27)28)20-31(43)39-15-14-38-13-12-37(3)33(45)29(38)19-39/h6-11,16-18,29H,4-5,12-15,19-20H2,1-3H3,(H,36,44)
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n/an/a 7n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50100262
PNG
(CHEMBL3326906)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CCC(O)=O)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C27H28N4O4/c1-4-5-25(32)22-15-28-31(18(22)3)20-9-7-19(8-10-20)29-27(35)23-16-30(13-12-26(33)34)24-11-6-17(2)14-21(23)24/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,29,35)(H,33,34)
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n/an/a 7n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50100194
PNG
(CHEMBL3325804)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(Cc4cc(C)on4)CC3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C34H36ClN7O4/c1-4-5-32(43)29-18-36-42(23(29)3)27-9-7-25(8-10-27)37-34(45)30-20-41(31-11-6-24(35)17-28(30)31)21-33(44)40-14-12-39(13-15-40)19-26-16-22(2)46-38-26/h6-11,16-18,20H,4-5,12-15,19,21H2,1-3H3,(H,37,45)
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n/an/a 11n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50100197
PNG
(CHEMBL3325803)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CC(=O)N(C)C)CC3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C33H38ClN7O4/c1-5-6-30(42)27-18-35-41(22(27)2)25-10-8-24(9-11-25)36-33(45)28-19-40(29-12-7-23(34)17-26(28)29)21-32(44)39-15-13-38(14-16-39)20-31(43)37(3)4/h7-12,17-19H,5-6,13-16,20-21H2,1-4H3,(H,36,45)
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n/an/a 11n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50100196
PNG
(CHEMBL3325802)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CCO)CC3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C31H35ClN6O4/c1-3-4-29(40)26-18-33-38(21(26)2)24-8-6-23(7-9-24)34-31(42)27-19-37(28-10-5-22(32)17-25(27)28)20-30(41)36-13-11-35(12-14-36)15-16-39/h5-10,17-19,39H,3-4,11-16,20H2,1-2H3,(H,34,42)
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n/an/a 11n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50100195
PNG
(CHEMBL3325805)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN4CCN(C)C(=O)C4C3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1/C33H36ClN7O4/c1-4-5-30(42)26-17-35-41(21(26)2)24-9-7-23(8-10-24)36-32(44)27-18-40(28-11-6-22(34)16-25(27)28)20-31(43)39-15-14-38-13-12-37(3)33(45)29(38)19-39/h6-11,16-18,29H,4-5,12-15,19-20H2,1-3H3,(H,36,44)
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n/an/a 12n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50100195
PNG
(CHEMBL3325805)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN4CCN(C)C(=O)C4C3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1/C33H36ClN7O4/c1-4-5-30(42)26-17-35-41(21(26)2)24-9-7-23(8-10-24)36-32(44)27-18-40(28-11-6-22(34)16-25(27)28)20-31(43)39-15-14-38-13-12-37(3)33(45)29(38)19-39/h6-11,16-18,29H,4-5,12-15,19-20H2,1-3H3,(H,36,44)
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n/an/a 12n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50055846
PNG
(CHEMBL3325788)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(Cc4ccc(F)cc4)CC3)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C37H39FN6O3/c1-4-5-35(45)32-21-39-44(26(32)3)30-13-11-29(12-14-30)40-37(47)33-23-43(34-15-6-25(2)20-31(33)34)24-36(46)42-18-16-41(17-19-42)22-27-7-9-28(38)10-8-27/h6-15,20-21,23H,4-5,16-19,22,24H2,1-3H3,(H,40,47)
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n/an/a 12n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50443849
PNG
(CHEMBL3091524)
Show SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1csc(Cl)c1)C(=O)N1CCOCC1)-c1ccccn1 |r|
Show InChI InChI=1S/C25H27ClN4O5S2/c1-2-18-19(20-7-3-4-9-27-20)6-5-8-22(18)37(33,34)29-21(25(32)30-10-12-35-13-11-30)15-28-24(31)17-14-23(26)36-16-17/h3-9,14,16,21,29H,2,10-13,15H2,1H3,(H,28,31)/t21-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50055843
PNG
(CHEMBL3325785)
Show SMILES [H][C@@]12C[C@@H](O)CN1C[C@H](C)N(C2)C(=O)Cn1cc(C(=O)Nc2ccc(cc2)-n2ncc(C(=O)CCC)c2C)c2cc(C)ccc12 |r|
Show InChI InChI=1/C34H40N6O4/c1-5-6-32(42)29-15-35-40(23(29)4)25-10-8-24(9-11-25)36-34(44)30-19-38(31-12-7-21(2)13-28(30)31)20-33(43)39-17-26-14-27(41)18-37(26)16-22(39)3/h7-13,15,19,22,26-27,41H,5-6,14,16-18,20H2,1-4H3,(H,36,44)/t22-,26-,27+/s2
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n/an/a 15n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50100193
PNG
(CHEMBL3325801)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CCOC)CC3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C32H37ClN6O4/c1-4-5-30(40)27-19-34-39(22(27)2)25-9-7-24(8-10-25)35-32(42)28-20-38(29-11-6-23(33)18-26(28)29)21-31(41)37-14-12-36(13-15-37)16-17-43-3/h6-11,18-20H,4-5,12-17,21H2,1-3H3,(H,35,42)
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n/an/a 15n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17298
PNG
(4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...)
Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)
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n/an/a 15n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of factor-10a (unknown origin)


J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50100314
PNG
(CHEMBL3326903)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)Nc2cc(C)ccc2OCCCC(O)=O)cc1
Show InChI InChI=1S/C26H30N4O5/c1-4-6-23(31)21-16-27-30(18(21)3)20-11-9-19(10-12-20)28-26(34)29-22-15-17(2)8-13-24(22)35-14-5-7-25(32)33/h8-13,15-16H,4-7,14H2,1-3H3,(H,32,33)(H2,28,29,34)
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n/an/a 17n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50100247
PNG
(CHEMBL3325891)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)nn1
Show InChI InChI=1S/C28H31ClN8O3/c1-4-5-24(38)21-15-30-37(18(21)2)26-9-8-25(32-33-26)31-28(40)22-16-36(23-7-6-19(29)14-20(22)23)17-27(39)35-12-10-34(3)11-13-35/h6-9,14-16H,4-5,10-13,17H2,1-3H3,(H,31,32,40)
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n/an/a 17n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50055841
PNG
(CHEMBL3325783)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CC(F)F)CC3)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C32H36F2N6O3/c1-4-5-29(41)26-17-35-40(22(26)3)24-9-7-23(8-10-24)36-32(43)27-18-39(28-11-6-21(2)16-25(27)28)20-31(42)38-14-12-37(13-15-38)19-30(33)34/h6-11,16-18,30H,4-5,12-15,19-20H2,1-3H3,(H,36,43)
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n/an/a 19n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50055840
PNG
(CHEMBL3325782)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CCF)CC3)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C32H37FN6O3/c1-4-5-30(40)27-19-34-39(23(27)3)25-9-7-24(8-10-25)35-32(42)28-20-38(29-11-6-22(2)18-26(28)29)21-31(41)37-16-14-36(13-12-33)15-17-37/h6-11,18-20H,4-5,12-17,21H2,1-3H3,(H,35,42)
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n/an/a 19n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50055816
PNG
(CHEMBL3325660)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CCOC)CC3)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C33H40N6O4/c1-5-6-31(40)28-20-34-39(24(28)3)26-10-8-25(9-11-26)35-33(42)29-21-38(30-12-7-23(2)19-27(29)30)22-32(41)37-15-13-36(14-16-37)17-18-43-4/h7-12,19-21H,5-6,13-18,22H2,1-4H3,(H,35,42)
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n/an/a 20n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100245
PNG
(CHEMBL3325894)
Show SMILES CCCC(=O)c1cnn(C2CCN(CC2)NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)c1C
Show InChI InChI=1S/C29H38ClN7O3/c1-4-5-27(38)24-17-31-37(20(24)2)22-8-10-36(11-9-22)32-29(40)25-18-35(26-7-6-21(30)16-23(25)26)19-28(39)34-14-12-33(3)13-15-34/h6-7,16-18,22H,4-5,8-15,19H2,1-3H3,(H,32,40)
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n/an/a 20n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50055847
PNG
(CHEMBL3325789)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(OC)cc23)cc1
Show InChI InChI=1S/C31H36N6O4/c1-5-6-29(38)26-18-32-37(21(26)2)23-9-7-22(8-10-23)33-31(40)27-19-36(28-12-11-24(41-4)17-25(27)28)20-30(39)35-15-13-34(3)14-16-35/h7-12,17-19H,5-6,13-16,20H2,1-4H3,(H,33,40)
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n/an/a 22n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50100273
PNG
(CHEMBL3326905)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CCCC(O)=O)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C28H30N4O4/c1-4-6-26(33)23-16-29-32(19(23)3)21-11-9-20(10-12-21)30-28(36)24-17-31(14-5-7-27(34)35)25-13-8-18(2)15-22(24)25/h8-13,15-17H,4-7,14H2,1-3H3,(H,30,36)(H,34,35)
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n/an/a 24n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
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