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Compile Data Set for Download or QSAR

Found 33 hits of ki for UniProtKB: O19045   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Oryctolagus cuniculus)
BDBM12751
PNG
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
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0.0300n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity towards human trypsin


Bioorg Med Chem Lett 11: 641-5 (2001)


BindingDB Entry DOI: 10.7270/Q2RV0MZ2
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50097625
PNG
(4-(3-Carbamimidoyl-phenyl)-2-methyl-thiazole-5-car...)
Show SMILES Cc1nc(c(s1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H21N5O3S2/c1-14-28-21(16-5-4-6-17(13-16)23(25)26)22(33-14)24(30)29-18-11-9-15(10-12-18)19-7-2-3-8-20(19)34(27,31)32/h2-13H,1H3,(H3,25,26)(H,29,30)(H2,27,31,32)
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0.0800n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity towards human trypsin


Bioorg Med Chem Lett 11: 641-5 (2001)


BindingDB Entry DOI: 10.7270/Q2RV0MZ2
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50079240
PNG
(3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...)
Show SMILES NC(=N)c1cccc(c1)C1=NOC(Cn2cnnn2)(C1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |t:10|
Show InChI InChI=1S/C24H22N10O4S/c25-22(26)16-5-3-4-15(10-16)19-11-24(38-31-19,13-34-14-29-32-33-34)23(35)30-21-9-8-17(12-28-21)18-6-1-2-7-20(18)39(27,36)37/h1-10,12,14H,11,13H2,(H3,25,26)(H2,27,36,37)(H,28,30,35)
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0.110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against Rabbit factor Xa was determined


Bioorg Med Chem Lett 13: 1023-8 (2003)


BindingDB Entry DOI: 10.7270/Q21R6PWQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50087533
PNG
(3-(3-Carbamimidoyl-phenyl)-isoxazole-4-carboxylic ...)
Show SMILES NC(=N)c1cccc(c1)-c1nocc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C23H19N5O4S/c24-22(25)16-5-3-4-15(12-16)21-19(13-32-28-21)23(29)27-17-10-8-14(9-11-17)18-6-1-2-7-20(18)33(26,30)31/h1-13H,(H3,24,25)(H,27,29)(H2,26,30,31)
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0.400n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity towards human trypsin


Bioorg Med Chem Lett 11: 641-5 (2001)


BindingDB Entry DOI: 10.7270/Q2RV0MZ2
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50087533
PNG
(3-(3-Carbamimidoyl-phenyl)-isoxazole-4-carboxylic ...)
Show SMILES NC(=N)c1cccc(c1)-c1nocc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C23H19N5O4S/c24-22(25)16-5-3-4-15(12-16)21-19(13-32-28-21)23(29)27-17-10-8-14(9-11-17)18-6-1-2-7-20(18)33(26,30)31/h1-13H,(H3,24,25)(H,27,29)(H2,26,30,31)
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0.400n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against rabbit Coagulation factor X


Bioorg Med Chem Lett 10: 685-9 (2000)


BindingDB Entry DOI: 10.7270/Q21V5D63
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072442
PNG
(CHEMBL320269 | {(3-Carbamimidoyl-phenyl)-[2-(2'-su...)
Show SMILES COC(=O)CN(CCOc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H26N4O5S/c1-32-23(29)16-28(19-6-4-5-18(15-19)24(25)26)13-14-33-20-11-9-17(10-12-20)21-7-2-3-8-22(21)34(27,30)31/h2-12,15H,13-14,16H2,1H3,(H3,25,26)(H2,27,30,31)
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0.530n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50087538
PNG
((4S,5S)-3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl...)
Show SMILES COC[C@H]1ON=C([C@@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N |c:5|
Show InChI InChI=1S/C25H25N5O5S/c1-34-14-20-22(23(30-35-20)16-5-4-6-17(13-16)24(26)27)25(31)29-18-11-9-15(10-12-18)19-7-2-3-8-21(19)36(28,32)33/h2-13,20,22H,14H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)/t20-,22-/m1/s1
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0.640n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against rabbit Coagulation factor X


Bioorg Med Chem Lett 10: 685-9 (2000)


BindingDB Entry DOI: 10.7270/Q21V5D63
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50079252
PNG
(3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-4,5-dih...)
Show SMILES COCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:5|
Show InChI InChI=1S/C25H25N5O5S/c1-34-15-25(14-21(30-35-25)17-5-4-6-18(13-17)23(26)27)24(31)29-19-11-9-16(10-12-19)20-7-2-3-8-22(20)36(28,32)33/h2-13H,14-15H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)
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0.800n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against rabbit Coagulation factor X


Bioorg Med Chem Lett 10: 685-9 (2000)


BindingDB Entry DOI: 10.7270/Q21V5D63
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072448
PNG
(CHEMBL18767 | {(3-Carbamimidoyl-phenyl)-[3-(2'-sul...)
Show SMILES COC(=O)CN(CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H28N4O4S/c1-33-24(30)17-29(21-8-4-7-20(16-21)25(26)27)15-5-6-18-11-13-19(14-12-18)22-9-2-3-10-23(22)34(28,31)32/h2-4,7-14,16H,5-6,15,17H2,1H3,(H3,26,27)(H2,28,31,32)
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1.30n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM35743
PNG
(CHEMBL479863 | cis-1,2-diaminocyclohexane derivati...)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
Show InChI InChI=1S/C26H31ClN6O3S/c1-32(2)26(36)14-4-6-18(29-23(34)21-12-15-10-16(27)5-7-17(15)28-21)20(11-14)30-24(35)25-31-19-8-9-33(3)13-22(19)37-25/h5,7,10,12,14,18,20,28H,4,6,8-9,11,13H2,1-3H3,(H,29,34)(H,30,35)/t14-,18-,20+/m0/s1
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Article
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1.74n/an/an/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rabbit factor 10a by Lineweaver-Burk plot


Bioorg Med Chem 17: 1193-206 (2009)


Article DOI: 10.1016/j.bmc.2008.12.037
BindingDB Entry DOI: 10.7270/Q2V69JGR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072444
PNG
(CHEMBL320934 | {(3-Carbamimidoyl-phenyl)-[2-(2'-su...)
Show SMILES CC(C)OC(=O)CN(CCOc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C26H30N4O5S/c1-18(2)35-25(31)17-30(21-7-5-6-20(16-21)26(27)28)14-15-34-22-12-10-19(11-13-22)23-8-3-4-9-24(23)36(29,32)33/h3-13,16,18H,14-15,17H2,1-2H3,(H3,27,28)(H2,29,32,33)
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2.10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50125242
PNG
(3-(3-Amino-4-chloro-phenyl)-5-(methanesulfonylamin...)
Show SMILES CS(=O)(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:8|
Show InChI InChI=1S/C23H23ClN6O6S2/c1-37(32,33)28-13-23(11-19(30-36-23)14-6-8-17(24)18(25)10-14)22(31)29-21-9-7-15(12-27-21)16-4-2-3-5-20(16)38(26,34)35/h2-10,12,28H,11,13,25H2,1H3,(H2,26,34,35)(H,27,29,31)
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2.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against Rabbit factor Xa was determined


Bioorg Med Chem Lett 13: 1023-8 (2003)


BindingDB Entry DOI: 10.7270/Q21R6PWQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50324743
PNG
((3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DIC...)
Show SMILES FC(F)CN1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C24H21ClF3N5O3/c25-14-4-7-21(29-10-14)31-24(36)17-12-32(13-20(27)28)11-16(17)23(35)30-19-6-5-15(9-18(19)26)33-8-2-1-3-22(33)34/h1-10,16-17,20H,11-13H2,(H,30,35)(H,29,31,36)/t16-,17-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to rabbit factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50125243
PNG
(3-(3-Amino-4-chloro-phenyl)-5-ureidomethyl-4,5-dih...)
Show SMILES NC(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:7|
Show InChI InChI=1S/C23H22ClN7O5S/c24-16-7-5-13(9-17(16)25)18-10-23(36-31-18,12-29-22(26)33)21(32)30-20-8-6-14(11-28-20)15-3-1-2-4-19(15)37(27,34)35/h1-9,11H,10,12,25H2,(H3,26,29,33)(H2,27,34,35)(H,28,30,32)
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4.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against Rabbit factor Xa was determined


Bioorg Med Chem Lett 13: 1023-8 (2003)


BindingDB Entry DOI: 10.7270/Q21R6PWQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072445
PNG
(CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...)
Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:7|
Show InChI InChI=1S/C26H25N5O6S/c1-36-23(32)15-26(14-21(31-37-26)17-5-4-6-18(13-17)24(27)28)25(33)30-19-11-9-16(10-12-19)20-7-2-3-8-22(20)38(29,34)35/h2-13H,14-15H2,1H3,(H3,27,28)(H,30,33)(H2,29,34,35)
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6.30n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072435
PNG
(CHEMBL106743 | {(3-Carbamimidoyl-phenyl)-[3-(2'-su...)
Show SMILES COC(=O)CN(CCCOc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H28N4O5S/c1-33-24(30)17-29(20-7-4-6-19(16-20)25(26)27)14-5-15-34-21-12-10-18(11-13-21)22-8-2-3-9-23(22)35(28,31)32/h2-4,6-13,16H,5,14-15,17H2,1H3,(H3,26,27)(H2,28,31,32)
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6.70n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072434
PNG
(CHEMBL317471 | {(3-Carbamimidoyl-phenyl)-[3-(2'-su...)
Show SMILES CC(C)OC(=O)CN(CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C27H32N4O4S/c1-19(2)35-26(32)18-31(23-9-5-8-22(17-23)27(28)29)16-6-7-20-12-14-21(15-13-20)24-10-3-4-11-25(24)36(30,33)34/h3-5,8-15,17,19H,6-7,16,18H2,1-2H3,(H3,28,29)(H2,30,33,34)
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7.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072437
PNG
(CHEMBL105121 | {(3-Carbamimidoyl-phenyl)-[2-(2'-su...)
Show SMILES COC(=O)CN(CCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H26N4O4S/c1-32-23(29)16-28(20-6-4-5-19(15-20)24(25)26)14-13-17-9-11-18(12-10-17)21-7-2-3-8-22(21)33(27,30)31/h2-12,15H,13-14,16H2,1H3,(H3,25,26)(H2,27,30,31)
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10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072440
PNG
(3-{(2-Methoxy-ethyl)-[3-(2'-sulfamoyl-biphenyl-4-y...)
Show SMILES COCCN(CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H30N4O3S/c1-32-17-16-29(22-8-4-7-21(18-22)25(26)27)15-5-6-19-11-13-20(14-12-19)23-9-2-3-10-24(23)33(28,30)31/h2-4,7-14,18H,5-6,15-17H2,1H3,(H3,26,27)(H2,28,30,31)
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11n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072449
PNG
(CHEMBL107097 | {(3-Carbamimidoyl-phenyl)-[3-(2'-su...)
Show SMILES NC(=N)c1cccc(c1)N(CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)CC(O)=O
Show InChI InChI=1S/C24H26N4O4S/c25-24(26)19-6-3-7-20(15-19)28(16-23(29)30)14-4-5-17-10-12-18(13-11-17)21-8-1-2-9-22(21)33(27,31)32/h1-3,6-13,15H,4-5,14,16H2,(H3,25,26)(H,29,30)(H2,27,31,32)
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12n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072436
PNG
(3-{(2-Phenoxy-ethyl)-[3-(2'-sulfamoyl-biphenyl-4-y...)
Show SMILES NC(=N)c1cccc(c1)N(CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)CCOc1ccccc1
Show InChI InChI=1S/C30H32N4O3S/c31-30(32)25-9-6-10-26(22-25)34(20-21-37-27-11-2-1-3-12-27)19-7-8-23-15-17-24(18-16-23)28-13-4-5-14-29(28)38(33,35)36/h1-6,9-18,22H,7-8,19-21H2,(H3,31,32)(H2,33,35,36)
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16n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072450
PNG
(3-{(2-Oxo-propyl)-[3-(2'-sulfamoyl-biphenyl-4-yl)-...)
Show SMILES CC(=O)CN(CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H28N4O3S/c1-18(30)17-29(22-8-4-7-21(16-22)25(26)27)15-5-6-19-11-13-20(14-12-19)23-9-2-3-10-24(23)33(28,31)32/h2-4,7-14,16H,5-6,15,17H2,1H3,(H3,26,27)(H2,28,31,32)
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16n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072438
PNG
(3-{(2-Hydroxy-ethyl)-[3-(2'-sulfamoyl-biphenyl-4-y...)
Show SMILES NC(=N)c1cccc(c1)N(CCO)CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H28N4O3S/c25-24(26)20-6-3-7-21(17-20)28(15-16-29)14-4-5-18-10-12-19(13-11-18)22-8-1-2-9-23(22)32(27,30)31/h1-3,6-13,17,29H,4-5,14-16H2,(H3,25,26)(H2,27,30,31)
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17n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50324745
PNG
((3R,4R)-methyl 3-(5-chloropyridin-2-ylcarbamoyl)-4...)
Show SMILES COC(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C24H21ClFN5O5/c1-36-24(35)30-12-16(17(13-30)23(34)29-20-8-5-14(25)11-27-20)22(33)28-19-7-6-15(10-18(19)26)31-9-3-2-4-21(31)32/h2-11,16-17H,12-13H2,1H3,(H,28,33)(H,27,29,34)/t16-,17-/m0/s1
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17n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to rabbit factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072446
PNG
(2-{(3-Carbamimidoyl-phenyl)-[3-(2'-sulfamoyl-biphe...)
Show SMILES NC(=O)CN(CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H27N5O3S/c25-23(30)16-29(20-7-3-6-19(15-20)24(26)27)14-4-5-17-10-12-18(13-11-17)21-8-1-2-9-22(21)33(28,31)32/h1-3,6-13,15H,4-5,14,16H2,(H2,25,30)(H3,26,27)(H2,28,31,32)
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19n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072439
PNG
(CHEMBL325101 | {(3-Carbamimidoyl-phenyl)-[2-(2'-su...)
Show SMILES COC(=O)CN(c1cccc(c1)C(N)=N)S(=O)(=O)CCc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H26N4O6S2/c1-34-23(29)16-28(20-6-4-5-19(15-20)24(25)26)35(30,31)14-13-17-9-11-18(12-10-17)21-7-2-3-8-22(21)36(27,32)33/h2-12,15H,13-14,16H2,1H3,(H3,25,26)(H2,27,32,33)
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21n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50062035
PNG
(5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...)
Show SMILES COC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C20H24N4O2/c1-26-18(25)12-16(15-3-2-4-17(11-15)20(23)24)10-7-13-5-8-14(9-6-13)19(21)22/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H3,23,24)
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34n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072433
PNG
(CHEMBL323381 | {(3-Carbamimidoyl-phenyl)-[2-(2'-su...)
Show SMILES CC(C)OC(=O)CN(c1cccc(c1)C(N)=N)S(=O)(=O)CCc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C26H30N4O6S2/c1-18(2)36-25(31)17-30(22-7-5-6-21(16-22)26(27)28)37(32,33)15-14-19-10-12-20(13-11-19)23-8-3-4-9-24(23)38(29,34)35/h3-13,16,18H,14-15,17H2,1-2H3,(H3,27,28)(H2,29,34,35)
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37n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072447
PNG
(3-[2-(2'-Sulfamoyl-biphenyl-4-yl)-ethanesulfonylam...)
Show SMILES NC(=N)c1cccc(NS(=O)(=O)CCc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C21H22N4O4S2/c22-21(23)17-4-3-5-18(14-17)25-30(26,27)13-12-15-8-10-16(11-9-15)19-6-1-2-7-20(19)31(24,28)29/h1-11,14,25H,12-13H2,(H3,22,23)(H2,24,28,29)
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51n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072443
PNG
(3-[3-(2'-Sulfamoyl-biphenyl-4-yl)-propylamino]-ben...)
Show SMILES NC(=N)c1cccc(NCCCc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H24N4O2S/c23-22(24)18-6-3-7-19(15-18)26-14-4-5-16-10-12-17(13-11-16)20-8-1-2-9-21(20)29(25,27)28/h1-3,6-13,15,26H,4-5,14H2,(H3,23,24)(H2,25,27,28)
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83n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072441
PNG
(CHEMBL323060 | CHEMBL92988 | [3-(3-Carbamimidoyl-p...)
Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)C(N)=N |c:7|
Show InChI InChI=1S/C21H22N6O4/c1-30-17(28)11-21(20(29)26-15-7-5-12(6-8-15)18(22)23)10-16(27-31-21)13-3-2-4-14(9-13)19(24)25/h2-9H,10-11H2,1H3,(H3,22,23)(H3,24,25)(H,26,29)
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94n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50448581
PNG
(CHEMBL3127463)
Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)C1CC(C)(c2ccccc2)c2cc(ccc2N1)C(N)=N
Show InChI InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)
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3.20E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to New Zealand White rabbit factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50032874
PNG
(CHEMBL3355683)
Show SMILES OC(=O)C(F)(F)F.NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:12.14,wD:9.7,18.17,(34.53,-30.97,;35.85,-31.73,;35.85,-33.26,;37.17,-30.97,;38.49,-31.73,;37.17,-29.44,;38.49,-30.19,;15.69,-45.08,;16.46,-43.74,;18,-43.74,;18.77,-45.08,;20.31,-45.08,;21.08,-43.74,;20.31,-42.42,;18.77,-42.42,;22.62,-43.74,;23.39,-45.08,;23.39,-42.42,;24.93,-42.42,;25.7,-43.74,;27.24,-43.74,;28.01,-42.42,;29.55,-42.42,;30.32,-43.74,;29.55,-45.08,;28.01,-45.08,;25.7,-41.08,;25.07,-39.67,;26.21,-38.64,;27.55,-39.42,;28.96,-38.78,;27.23,-40.92,;26.05,-37.11,;27.3,-36.21,;27.14,-34.68,;25.73,-34.05,;25.26,-32.58,;26.16,-31.33,;23.72,-32.58,;23.24,-34.05,;24.49,-34.96,;24.65,-36.49,)|
Show InChI InChI=1S/C26H30ClN7O.C2HF3O2/c27-23-22(18-10-11-19-20(13-18)33-34-24(19)29)31-25(32-23)21(12-15-4-2-1-3-5-15)30-26(35)17-8-6-16(14-28)7-9-17;3-2(4,5)1(6)7/h1-5,10-11,13,16-17,21H,6-9,12,14,28H2,(H,30,35)(H,31,32)(H3,29,33,34);(H,6,7)/t16-,17-,21-;/m0./s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of rabbit coagulation factor 10a using N-benzoyl-Ile-Glu-(OH, OMe)-Gly-Arg-pNA as substrate by spectrophotometric analysis


J Med Chem 57: 9915-32 (2014)


Article DOI: 10.1021/jm5010607
BindingDB Entry DOI: 10.7270/Q2RV0Q9S
More data for this
Ligand-Target Pair