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Compile Data Set for Download or QSAR

Found 315 hits with Last Name = 'de candia' and Initial = 'm'   
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))
BDBM50029090
PNG
(CHEMBL3343301)
Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1c(OCCCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cccc1OCc1cc(on1)-c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C32H42ClN3O10S/c1-18(2)36-11-9-19(10-12-36)31(41)34-27-21(42-13-4-14-43-32-30(40)29(39)28(38)24(16-37)45-32)5-3-6-22(27)44-17-20-15-23(46-35-20)25-7-8-26(33)47-25/h3,5-8,15,18-19,24,28-30,32,37-40H,4,9-14,16-17H2,1-2H3,(H,34,41)/t24-,28-,29+,30-,32-/m1/s1
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0.0900n/an/an/an/an/an/an/an/a



Consiglio Nazionale delle Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human factor10a assessed as reduction in hydrolysis of chromogenic substrate S-2765 by Cheng-Prusoff equation analysis


J Med Chem 57: 8563-75 (2014)


Article DOI: 10.1021/jm5010754
BindingDB Entry DOI: 10.7270/Q2GT5PSQ
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50029090
PNG
(CHEMBL3343301)
Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1c(OCCCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cccc1OCc1cc(on1)-c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C32H42ClN3O10S/c1-18(2)36-11-9-19(10-12-36)31(41)34-27-21(42-13-4-14-43-32-30(40)29(39)28(38)24(16-37)45-32)5-3-6-22(27)44-17-20-15-23(46-35-20)25-7-8-26(33)47-25/h3,5-8,15,18-19,24,28-30,32,37-40H,4,9-14,16-17H2,1-2H3,(H,34,41)/t24-,28-,29+,30-,32-/m1/s1
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0.0960n/an/an/an/an/an/an/an/a



Consiglio Nazionale delle Ricerche

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin assessed as reduction in hydrolysis of chromogenic substrate S-2238 by Lineweaver-Burk analysis


J Med Chem 57: 8563-75 (2014)


Article DOI: 10.1021/jm5010754
BindingDB Entry DOI: 10.7270/Q2GT5PSQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50029091
PNG
(CHEMBL3343299)
Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1ccccc1OCc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C23H26ClN3O3S/c1-15(2)27-11-9-16(10-12-27)23(28)25-18-5-3-4-6-19(18)29-14-17-13-20(30-26-17)21-7-8-22(24)31-21/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,25,28)
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0.110n/an/an/an/an/an/an/an/a



Consiglio Nazionale delle Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human factor10a assessed as reduction in hydrolysis of chromogenic substrate S-2765 by Lineweaver-Burk analysis


J Med Chem 57: 8563-75 (2014)


Article DOI: 10.1021/jm5010754
BindingDB Entry DOI: 10.7270/Q2GT5PSQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50029095
PNG
(CHEMBL3343300)
Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1c(OCCCO[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cccc1OCc1cc(on1)-c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C40H50ClN3O14S/c1-22(2)44-15-13-27(14-16-44)39(49)42-35-29(9-7-10-30(35)53-20-28-19-31(58-43-28)33-11-12-34(41)59-33)50-17-8-18-51-40-38(56-26(6)48)37(55-25(5)47)36(54-24(4)46)32(57-40)21-52-23(3)45/h7,9-12,19,22,27,32,36-38,40H,8,13-18,20-21H2,1-6H3,(H,42,49)/t32-,36-,37+,38-,40-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



Consiglio Nazionale delle Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human factor10a assessed as reduction in hydrolysis of chromogenic substrate S-2765 by Cheng-Prusoff equation analysis


J Med Chem 57: 8563-75 (2014)


Article DOI: 10.1021/jm5010754
BindingDB Entry DOI: 10.7270/Q2GT5PSQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50029091
PNG
(CHEMBL3343299)
Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1ccccc1OCc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C23H26ClN3O3S/c1-15(2)27-11-9-16(10-12-27)23(28)25-18-5-3-4-6-19(18)29-14-17-13-20(30-26-17)21-7-8-22(24)31-21/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,25,28)
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0.600n/an/an/an/an/an/an/an/a



Consiglio Nazionale delle Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human factor10a assessed as reduction in hydrolysis of chromogenic substrate S-2765 by Cheng-Prusoff equation analysis


J Med Chem 57: 8563-75 (2014)


Article DOI: 10.1021/jm5010754
BindingDB Entry DOI: 10.7270/Q2GT5PSQ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210854
PNG
(CHEMBL3960040)
Show SMILES Fc1cccc(CCn2c3CCCNC(=O)c3c3ccccc23)c1
Show InChI InChI=1S/C20H19FN2O/c21-15-6-3-5-14(13-15)10-12-23-17-8-2-1-7-16(17)19-18(23)9-4-11-22-20(19)24/h1-3,5-8,13H,4,9-12H2,(H,22,24)
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0.700n/an/an/an/an/an/an/an/a



University of Bari"A. Moro"

Curated by ChEMBL


Assay Description
Competitive inhibition of horse serum BChE in presence of varying levels of butyrylthiocholine iodide substrate by Lineweaver-burk plot method


Eur J Med Chem 125: 288-298 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.037
BindingDB Entry DOI: 10.7270/Q2G44S9D
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50029090
PNG
(CHEMBL3343301)
Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1c(OCCCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cccc1OCc1cc(on1)-c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C32H42ClN3O10S/c1-18(2)36-11-9-19(10-12-36)31(41)34-27-21(42-13-4-14-43-32-30(40)29(39)28(38)24(16-37)45-32)5-3-6-22(27)44-17-20-15-23(46-35-20)25-7-8-26(33)47-25/h3,5-8,15,18-19,24,28-30,32,37-40H,4,9-14,16-17H2,1-2H3,(H,34,41)/t24-,28-,29+,30-,32-/m1/s1
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0.870n/an/an/an/an/an/an/an/a



Consiglio Nazionale delle Ricerche

Curated by ChEMBL


Assay Description
Inhibition of human factor10a assessed as reduction in hydrolysis of chromogenic substrate S-2765 by Lineweaver-Burk analysis


J Med Chem 57: 8563-75 (2014)


Article DOI: 10.1021/jm5010754
BindingDB Entry DOI: 10.7270/Q2GT5PSQ
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50442068
PNG
(CHEMBL2441057)
Show SMILES Fc1cccc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)c1
Show InChI InChI=1S/C24H24FN3O2/c25-20-4-1-3-18(15-20)17-30-23-6-2-5-21(16-23)27-24(29)19-9-13-28(14-10-19)22-7-11-26-12-8-22/h1-8,11-12,15-16,19H,9-10,13-14,17H2,(H,27,29)
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6n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50442068
PNG
(CHEMBL2441057)
Show SMILES Fc1cccc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)c1
Show InChI InChI=1S/C24H24FN3O2/c25-20-4-1-3-18(15-20)17-30-23-6-2-5-21(16-23)27-24(29)19-9-13-28(14-10-19)22-7-11-26-12-8-22/h1-8,11-12,15-16,19H,9-10,13-14,17H2,(H,27,29)
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6n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50585934
PNG
(CHEMBL5082824)
Show SMILES CN(CCCC(F)F)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of human recombinant MAO-B expressed in supersomes using kynuramine as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50029091
PNG
(CHEMBL3343299)
Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1ccccc1OCc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C23H26ClN3O3S/c1-15(2)27-11-9-16(10-12-27)23(28)25-18-5-3-4-6-19(18)29-14-17-13-20(30-26-17)21-7-8-22(24)31-21/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,25,28)
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18n/an/an/an/an/an/an/an/a



Consiglio Nazionale delle Ricerche

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin assessed as reduction in hydrolysis of chromogenic substrate S-2238 by Lineweaver-Burk analysis


J Med Chem 57: 8563-75 (2014)


Article DOI: 10.1021/jm5010754
BindingDB Entry DOI: 10.7270/Q2GT5PSQ
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50442069
PNG
(CHEMBL2441037)
Show SMILES COc1ccc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)cc1OC
Show InChI InChI=1S/C26H29N3O4/c1-31-24-7-6-19(16-25(24)32-2)18-33-23-5-3-4-21(17-23)28-26(30)20-10-14-29(15-11-20)22-8-12-27-13-9-22/h3-9,12-13,16-17,20H,10-11,14-15,18H2,1-2H3,(H,28,30)
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31n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50442073
PNG
(CHEMBL2441035)
Show SMILES O=C(Nc1cccc(OCc2ccc3OCOc3c2)c1)C1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C25H25N3O4/c29-25(19-8-12-28(13-9-19)21-6-10-26-11-7-21)27-20-2-1-3-22(15-20)30-16-18-4-5-23-24(14-18)32-17-31-23/h1-7,10-11,14-15,19H,8-9,12-13,16-17H2,(H,27,29)
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53n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50292901
PNG
(CHEMBL454373 | N-(3-((4'-(trifluoromethyl)biphenyl...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc(COc2cccc(NC(=O)C3CCNCC3)c2)cc1
Show InChI InChI=1S/C26H25F3N2O2/c27-26(28,29)22-10-8-20(9-11-22)19-6-4-18(5-7-19)17-33-24-3-1-2-23(16-24)31-25(32)21-12-14-30-15-13-21/h1-11,16,21,30H,12-15,17H2,(H,31,32)
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57n/an/an/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by amydolitic assay


J Med Chem 52: 1018-28 (2009)


Article DOI: 10.1021/jm801141f
BindingDB Entry DOI: 10.7270/Q2BP02T6
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50442070
PNG
(CHEMBL2441054)
Show SMILES Fc1cc(F)cc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)c1
Show InChI InChI=1S/C24H23F2N3O2/c25-19-12-17(13-20(26)14-19)16-31-23-3-1-2-21(15-23)28-24(30)18-6-10-29(11-7-18)22-4-8-27-9-5-22/h1-5,8-9,12-15,18H,6-7,10-11,16H2,(H,28,30)
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63n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50442071
PNG
(CHEMBL2441055)
Show SMILES Fc1ccccc1COc1cccc(NC(=O)C2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C24H24FN3O2/c25-23-7-2-1-4-19(23)17-30-22-6-3-5-20(16-22)27-24(29)18-10-14-28(15-11-18)21-8-12-26-13-9-21/h1-9,12-13,16,18H,10-11,14-15,17H2,(H,27,29)
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64n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50442074
PNG
(CHEMBL2441036)
Show SMILES COc1cc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)cc(OC)c1
Show InChI InChI=1S/C26H29N3O4/c1-31-24-14-19(15-25(17-24)32-2)18-33-23-5-3-4-21(16-23)28-26(30)20-8-12-29(13-9-20)22-6-10-27-11-7-22/h3-7,10-11,14-17,20H,8-9,12-13,18H2,1-2H3,(H,28,30)
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83n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50524749
PNG
(CHEMBL4538834)
Show SMILES Cl.C(CCc1ccccc1)CN1CCCc2[nH]c3ccccc3c2C1
Show InChI InChI=1S/C22H26N2/c1-2-9-18(10-3-1)11-6-7-15-24-16-8-14-22-20(17-24)19-12-4-5-13-21(19)23-22/h1-5,9-10,12-13,23H,6-8,11,14-17H2
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98n/an/an/an/an/an/an/an/a



University of Bari Aldo Moro

Curated by ChEMBL


Assay Description
Mixed type inhibition of equine serum BChE assessed as Ki using butyrylthiocholine as substrate preincubated for 20 mins followed by substrate additi...


Eur J Med Chem 177: 414-424 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.062
BindingDB Entry DOI: 10.7270/Q2RF5ZGP
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50029090
PNG
(CHEMBL3343301)
Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1c(OCCCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cccc1OCc1cc(on1)-c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C32H42ClN3O10S/c1-18(2)36-11-9-19(10-12-36)31(41)34-27-21(42-13-4-14-43-32-30(40)29(39)28(38)24(16-37)45-32)5-3-6-22(27)44-17-20-15-23(46-35-20)25-7-8-26(33)47-25/h3,5-8,15,18-19,24,28-30,32,37-40H,4,9-14,16-17H2,1-2H3,(H,34,41)/t24-,28-,29+,30-,32-/m1/s1
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100n/an/an/an/an/an/an/an/a



Consiglio Nazionale delle Ricerche

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin assessed as reduction in hydrolysis of chromogenic substrate S-2238 by Cheng-Prusoff equation analysis


J Med Chem 57: 8563-75 (2014)


Article DOI: 10.1021/jm5010754
BindingDB Entry DOI: 10.7270/Q2GT5PSQ
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50442075
PNG
(CHEMBL2441047)
Show SMILES CS(=O)(=O)c1ccc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)cc1
Show InChI InChI=1S/C25H27N3O4S/c1-33(30,31)24-7-5-19(6-8-24)18-32-23-4-2-3-21(17-23)27-25(29)20-11-15-28(16-12-20)22-9-13-26-14-10-22/h2-10,13-14,17,20H,11-12,15-16,18H2,1H3,(H,27,29)
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124n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50292898
PNG
(CHEMBL453387 | N-(3-((3',5'-difluorobiphenyl-4-yl)...)
Show SMILES Fc1cc(F)cc(c1)-c1ccc(COc2cccc(NC(=O)C3CCNCC3)c2)cc1
Show InChI InChI=1S/C25H24F2N2O2/c26-21-12-20(13-22(27)14-21)18-6-4-17(5-7-18)16-31-24-3-1-2-23(15-24)29-25(30)19-8-10-28-11-9-19/h1-7,12-15,19,28H,8-11,16H2,(H,29,30)
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130n/an/an/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by amydolitic assay


J Med Chem 52: 1018-28 (2009)


Article DOI: 10.1021/jm801141f
BindingDB Entry DOI: 10.7270/Q2BP02T6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50442079
PNG
(CHEMBL2441033)
Show SMILES Fc1ccc(CCOc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)cc1
Show InChI InChI=1S/C25H26FN3O2/c26-21-6-4-19(5-7-21)12-17-31-24-3-1-2-22(18-24)28-25(30)20-10-15-29(16-11-20)23-8-13-27-14-9-23/h1-9,13-14,18,20H,10-12,15-17H2,(H,28,30)
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133n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using Z-D-Arg-Gly-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50442093
PNG
(CHEMBL2441053)
Show SMILES Clc1cccc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)c1
Show InChI InChI=1S/C24H24ClN3O2/c25-20-4-1-3-18(15-20)17-30-23-6-2-5-21(16-23)27-24(29)19-9-13-28(14-10-19)22-7-11-26-12-8-22/h1-8,11-12,15-16,19H,9-10,13-14,17H2,(H,27,29)
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156n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50029095
PNG
(CHEMBL3343300)
Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1c(OCCCO[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cccc1OCc1cc(on1)-c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C40H50ClN3O14S/c1-22(2)44-15-13-27(14-16-44)39(49)42-35-29(9-7-10-30(35)53-20-28-19-31(58-43-28)33-11-12-34(41)59-33)50-17-8-18-51-40-38(56-26(6)48)37(55-25(5)47)36(54-24(4)46)32(57-40)21-52-23(3)45/h7,9-12,19,22,27,32,36-38,40H,8,13-18,20-21H2,1-6H3,(H,42,49)/t32-,36-,37+,38-,40-/m1/s1
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160n/an/an/an/an/an/an/an/a



Consiglio Nazionale delle Ricerche

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin assessed as reduction in hydrolysis of chromogenic substrate S-2238 by Cheng-Prusoff equation analysis


J Med Chem 57: 8563-75 (2014)


Article DOI: 10.1021/jm5010754
BindingDB Entry DOI: 10.7270/Q2GT5PSQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50292892
PNG
(CHEMBL490298 | N-{3-[(3'-fluoro-1,1'-biphenyl-4-yl...)
Show SMILES Fc1cccc(c1)-c1ccc(COc2cccc(NC(=O)C3CCNCC3)c2)cc1
Show InChI InChI=1S/C25H25FN2O2/c26-22-4-1-3-21(15-22)19-9-7-18(8-10-19)17-30-24-6-2-5-23(16-24)28-25(29)20-11-13-27-14-12-20/h1-10,15-16,20,27H,11-14,17H2,(H,28,29)
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177n/an/an/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by amydolitic assay


J Med Chem 52: 1018-28 (2009)


Article DOI: 10.1021/jm801141f
BindingDB Entry DOI: 10.7270/Q2BP02T6
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50442072
PNG
(CHEMBL2441058)
Show SMILES Fc1ccc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)cc1
Show InChI InChI=1S/C24H24FN3O2/c25-20-6-4-18(5-7-20)17-30-23-3-1-2-21(16-23)27-24(29)19-10-14-28(15-11-19)22-8-12-26-13-9-22/h1-9,12-13,16,19H,10-11,14-15,17H2,(H,27,29)
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211n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50442094
PNG
(CHEMBL2441052)
Show SMILES Clc1ccc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)cc1
Show InChI InChI=1S/C24H24ClN3O2/c25-20-6-4-18(5-7-20)17-30-23-3-1-2-21(16-23)27-24(29)19-10-14-28(15-11-19)22-8-12-26-13-9-22/h1-9,12-13,16,19H,10-11,14-15,17H2,(H,27,29)
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260n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50292894
PNG
(CHEMBL490491 | N-(3-((2',4'-difluorobiphenyl-4-yl)...)
Show SMILES Fc1ccc(c(F)c1)-c1ccc(COc2cccc(NC(=O)C3CCNCC3)c2)cc1
Show InChI InChI=1S/C25H24F2N2O2/c26-20-8-9-23(24(27)14-20)18-6-4-17(5-7-18)16-31-22-3-1-2-21(15-22)29-25(30)19-10-12-28-13-11-19/h1-9,14-15,19,28H,10-13,16H2,(H,29,30)
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512n/an/an/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by amydolitic assay


J Med Chem 52: 1018-28 (2009)


Article DOI: 10.1021/jm801141f
BindingDB Entry DOI: 10.7270/Q2BP02T6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50292895
PNG
(CHEMBL489694 | N-(3-((2',3'-difluorobiphenyl-4-yl)...)
Show SMILES Fc1cccc(c1F)-c1ccc(COc2cccc(NC(=O)C3CCNCC3)c2)cc1
Show InChI InChI=1S/C25H24F2N2O2/c26-23-6-2-5-22(24(23)27)18-9-7-17(8-10-18)16-31-21-4-1-3-20(15-21)29-25(30)19-11-13-28-14-12-19/h1-10,15,19,28H,11-14,16H2,(H,29,30)
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548n/an/an/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by amydolitic assay


J Med Chem 52: 1018-28 (2009)


Article DOI: 10.1021/jm801141f
BindingDB Entry DOI: 10.7270/Q2BP02T6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50442069
PNG
(CHEMBL2441037)
Show SMILES COc1ccc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)cc1OC
Show InChI InChI=1S/C26H29N3O4/c1-31-24-7-6-19(16-25(24)32-2)18-33-23-5-3-4-21(17-23)28-26(30)20-10-14-29(15-11-20)22-8-12-27-13-9-22/h3-9,12-13,16-17,20H,10-11,14-15,18H2,1-2H3,(H,28,30)
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606n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using Z-D-Arg-Gly-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50292900
PNG
(CHEMBL508488 | N-(3-((3',4',5'-trifluorobiphenyl-4...)
Show SMILES Fc1cc(cc(F)c1F)-c1ccc(COc2cccc(NC(=O)C3CCNCC3)c2)cc1
Show InChI InChI=1S/C25H23F3N2O2/c26-22-12-19(13-23(27)24(22)28)17-6-4-16(5-7-17)15-32-21-3-1-2-20(14-21)30-25(31)18-8-10-29-11-9-18/h1-7,12-14,18,29H,8-11,15H2,(H,30,31)
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666n/an/an/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by amydolitic assay


J Med Chem 52: 1018-28 (2009)


Article DOI: 10.1021/jm801141f
BindingDB Entry DOI: 10.7270/Q2BP02T6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50292893
PNG
(CHEMBL524125 | N-(3-((2'-fluorobiphenyl-4-yl)metho...)
Show SMILES Fc1ccccc1-c1ccc(COc2cccc(NC(=O)C3CCNCC3)c2)cc1
Show InChI InChI=1S/C25H25FN2O2/c26-24-7-2-1-6-23(24)19-10-8-18(9-11-19)17-30-22-5-3-4-21(16-22)28-25(29)20-12-14-27-15-13-20/h1-11,16,20,27H,12-15,17H2,(H,28,29)
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767n/an/an/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by amydolitic assay


J Med Chem 52: 1018-28 (2009)


Article DOI: 10.1021/jm801141f
BindingDB Entry DOI: 10.7270/Q2BP02T6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50442078
PNG
(CHEMBL2441030)
Show SMILES Fc1ccc(OCc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)cc1
Show InChI InChI=1S/C24H24FN3O2/c25-20-4-6-23(7-5-20)30-17-18-2-1-3-21(16-18)27-24(29)19-10-14-28(15-11-19)22-8-12-26-13-9-22/h1-9,12-13,16,19H,10-11,14-15,17H2,(H,27,29)
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774n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using Z-D-Arg-Gly-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50292887
PNG
(CHEMBL491672 | N-{[3-(1,1'-biphenyl-4-yl)methoxy]p...)
Show SMILES O=C(Nc1cccc(OCc2ccc(cc2)-c2ccccc2)c1)C1CCNCC1
Show InChI InChI=1S/C25H26N2O2/c28-25(22-13-15-26-16-14-22)27-23-7-4-8-24(17-23)29-18-19-9-11-21(12-10-19)20-5-2-1-3-6-20/h1-12,17,22,26H,13-16,18H2,(H,27,28)
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1.00E+3n/an/an/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by amydolitic assay


J Med Chem 52: 1018-28 (2009)


Article DOI: 10.1021/jm801141f
BindingDB Entry DOI: 10.7270/Q2BP02T6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50442072
PNG
(CHEMBL2441058)
Show SMILES Fc1ccc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)cc1
Show InChI InChI=1S/C24H24FN3O2/c25-20-6-4-18(5-7-20)17-30-23-3-1-2-21(16-23)27-24(29)19-10-14-28(15-11-19)22-8-12-26-13-9-22/h1-9,12-13,16,19H,10-11,14-15,17H2,(H,27,29)
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1.10E+3n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using Z-D-Arg-Gly-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50442081
PNG
(CHEMBL2441039)
Show SMILES COc1cccc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)c1
Show InChI InChI=1S/C25H27N3O3/c1-30-23-6-2-4-19(16-23)18-31-24-7-3-5-21(17-24)27-25(29)20-10-14-28(15-11-20)22-8-12-26-13-9-22/h2-9,12-13,16-17,20H,10-11,14-15,18H2,1H3,(H,27,29)
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1.15E+3n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50292896
PNG
(CHEMBL508759 | N-(3-((2',5'-difluorobiphenyl-4-yl)...)
Show SMILES Fc1ccc(F)c(c1)-c1ccc(COc2cccc(NC(=O)C3CCNCC3)c2)cc1
Show InChI InChI=1S/C25H24F2N2O2/c26-20-8-9-24(27)23(14-20)18-6-4-17(5-7-18)16-31-22-3-1-2-21(15-22)29-25(30)19-10-12-28-13-11-19/h1-9,14-15,19,28H,10-13,16H2,(H,29,30)
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1.27E+3n/an/an/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by amydolitic assay


J Med Chem 52: 1018-28 (2009)


Article DOI: 10.1021/jm801141f
BindingDB Entry DOI: 10.7270/Q2BP02T6
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50442080
PNG
(CHEMBL2441040)
Show SMILES COc1ccccc1COc1cccc(NC(=O)C2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C25H27N3O3/c1-30-24-8-3-2-5-20(24)18-31-23-7-4-6-21(17-23)27-25(29)19-11-15-28(16-12-19)22-9-13-26-14-10-22/h2-10,13-14,17,19H,11-12,15-16,18H2,1H3,(H,27,29)
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1.30E+3n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50292897
PNG
(CHEMBL455203 | N-(3-((2',6'-difluorobiphenyl-4-yl)...)
Show SMILES Fc1cccc(F)c1-c1ccc(COc2cccc(NC(=O)C3CCNCC3)c2)cc1
Show InChI InChI=1S/C25H24F2N2O2/c26-22-5-2-6-23(27)24(22)18-9-7-17(8-10-18)16-31-21-4-1-3-20(15-21)29-25(30)19-11-13-28-14-12-19/h1-10,15,19,28H,11-14,16H2,(H,29,30)
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1.45E+3n/an/an/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by amydolitic assay


J Med Chem 52: 1018-28 (2009)


Article DOI: 10.1021/jm801141f
BindingDB Entry DOI: 10.7270/Q2BP02T6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50292886
PNG
(CHEMBL491283 | N-(3-(biphenyl-4-ylmethoxy)phenyl)-...)
Show SMILES NC(=N)N1CCCC(C1)C(=O)Nc1cccc(OCc2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C26H28N4O2/c27-26(28)30-15-5-8-22(17-30)25(31)29-23-9-4-10-24(16-23)32-18-19-11-13-21(14-12-19)20-6-2-1-3-7-20/h1-4,6-7,9-14,16,22H,5,8,15,17-18H2,(H3,27,28)(H,29,31)
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2.00E+3n/an/an/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by amydolitic assay


J Med Chem 52: 1018-28 (2009)


Article DOI: 10.1021/jm801141f
BindingDB Entry DOI: 10.7270/Q2BP02T6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50585934
PNG
(CHEMBL5082824)
Show SMILES CN(CCCC(F)F)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
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2.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of human AChE by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50442082
PNG
(CHEMBL2441038)
Show SMILES COc1ccc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)cc1
Show InChI InChI=1S/C25H27N3O3/c1-30-23-7-5-19(6-8-23)18-31-24-4-2-3-21(17-24)27-25(29)20-11-15-28(16-12-20)22-9-13-26-14-10-22/h2-10,13-14,17,20H,11-12,15-16,18H2,1H3,(H,27,29)
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2.03E+3n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50442092
PNG
(CHEMBL2441051)
Show SMILES Brc1ccc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)cc1
Show InChI InChI=1S/C24H24BrN3O2/c25-20-6-4-18(5-7-20)17-30-23-3-1-2-21(16-23)27-24(29)19-10-14-28(15-11-19)22-8-12-26-13-9-22/h1-9,12-13,16,19H,10-11,14-15,17H2,(H,27,29)
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2.03E+3n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50442065
PNG
(CHEMBL2441032)
Show SMILES Fc1cccc(CCOc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)c1
Show InChI InChI=1S/C25H26FN3O2/c26-21-4-1-3-19(17-21)11-16-31-24-6-2-5-22(18-24)28-25(30)20-9-14-29(15-10-20)23-7-12-27-13-8-23/h1-8,12-13,17-18,20H,9-11,14-16H2,(H,28,30)
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2.14E+3n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using Z-D-Arg-Gly-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50292884
PNG
(CHEMBL523099 | N-(3-(biphenyl-4-ylmethoxy)phenyl)p...)
Show SMILES O=C(Nc1cccc(OCc2ccc(cc2)-c2ccccc2)c1)C1CCCNC1
Show InChI InChI=1S/C25H26N2O2/c28-25(22-8-5-15-26-17-22)27-23-9-4-10-24(16-23)29-18-19-11-13-21(14-12-19)20-6-2-1-3-7-20/h1-4,6-7,9-14,16,22,26H,5,8,15,17-18H2,(H,27,28)
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2.50E+3n/an/an/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by amydolitic assay


J Med Chem 52: 1018-28 (2009)


Article DOI: 10.1021/jm801141f
BindingDB Entry DOI: 10.7270/Q2BP02T6
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50442086
PNG
(CHEMBL2441044)
Show SMILES FC(F)(F)c1ccc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)cc1
Show InChI InChI=1S/C25H24F3N3O2/c26-25(27,28)20-6-4-18(5-7-20)17-33-23-3-1-2-21(16-23)30-24(32)19-10-14-31(15-11-19)22-8-12-29-13-9-22/h1-9,12-13,16,19H,10-11,14-15,17H2,(H,30,32)
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3.40E+3n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50442073
PNG
(CHEMBL2441035)
Show SMILES O=C(Nc1cccc(OCc2ccc3OCOc3c2)c1)C1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C25H25N3O4/c29-25(19-8-12-28(13-9-19)21-6-10-26-11-7-21)27-20-2-1-3-22(15-20)30-16-18-4-5-23-24(14-18)32-17-31-23/h1-7,10-11,14-15,19H,8-9,12-13,16-17H2,(H,27,29)
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3.72E+3n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using Z-D-Arg-Gly-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50442076
PNG
(CHEMBL2441029)
Show SMILES Fc1ccc(CCc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)cc1
Show InChI InChI=1S/C25H26FN3O/c26-22-8-6-19(7-9-22)4-5-20-2-1-3-23(18-20)28-25(30)21-12-16-29(17-13-21)24-10-14-27-15-11-24/h1-3,6-11,14-15,18,21H,4-5,12-13,16-17H2,(H,28,30)
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3.72E+3n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50442067
PNG
(CHEMBL2441027)
Show SMILES Fc1cccc(COc2cccc(NCC3CCN(CC3)c3ccncc3)c2)c1
Show InChI InChI=1S/C24H26FN3O/c25-21-4-1-3-20(15-21)18-29-24-6-2-5-22(16-24)27-17-19-9-13-28(14-10-19)23-7-11-26-12-8-23/h1-8,11-12,15-16,19,27H,9-10,13-14,17-18H2
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3.83E+3n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using Z-D-Arg-Gly-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50292891
PNG
(CHEMBL490297 | N-(3-((4'-fluorobiphenyl-4-yl)metho...)
Show SMILES Fc1ccc(cc1)-c1ccc(COc2cccc(NC(=O)C3CCNCC3)c2)cc1
Show InChI InChI=1S/C25H25FN2O2/c26-22-10-8-20(9-11-22)19-6-4-18(5-7-19)17-30-24-3-1-2-23(16-24)28-25(29)21-12-14-27-15-13-21/h1-11,16,21,27H,12-15,17H2,(H,28,29)
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3.87E+3n/an/an/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by amydolitic assay


J Med Chem 52: 1018-28 (2009)


Article DOI: 10.1021/jm801141f
BindingDB Entry DOI: 10.7270/Q2BP02T6
More data for this
Ligand-Target Pair
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