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PubMed code 23644213

Compile data set for download or QSAR
Found 57 hits of Enzyme Inhibition Constant Data   
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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PubMed
 0.660n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))		BDBM50435611
PNG
(CHEMBL2391199)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(Cl)c(N)c2)OC1=O |r|
Show InChI InChI=1S/C25H29ClN4O5/c1-2-34-24(32)16-9-11-29(12-10-16)18-4-6-19(7-5-18)30-15-20(35-25(30)33)14-28-23(31)17-3-8-21(26)22(27)13-17/h3-8,13,16,20H,2,9-12,14-15,27H2,1H3,(H,28,31)/t20-/m0/s1
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PubMed
 1.08E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435624
PNG
(CHEMBL2391187)
Show SMILES CC1(CCCN(C1=O)c1ccc(cc1)N1C[C@H](CNC(=O)c2cnc(N)s2)OC1=O)C(O)=O |r|
Show InChI InChI=1S/C21H23N5O6S/c1-21(18(29)30)7-2-8-25(17(21)28)12-3-5-13(6-4-12)26-11-14(32-20(26)31)9-23-16(27)15-10-24-19(22)33-15/h3-6,10,14H,2,7-9,11H2,1H3,(H2,22,24)(H,23,27)(H,29,30)/t14-,21?/m0/s1
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PubMed
 1.12E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435616
PNG
(CHEMBL2391195)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@@H](CNCc2ccc(cc2)C(N)=N)OC1=O |r|
Show InChI InChI=1S/C26H33N5O4/c1-2-34-25(32)20-11-13-30(14-12-20)21-7-9-22(10-8-21)31-17-23(35-26(31)33)16-29-15-18-3-5-19(6-4-18)24(27)28/h3-10,20,23,29H,2,11-17H2,1H3,(H3,27,28)/t23-/m1/s1
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PubMed
 2.56E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435627
PNG
(CHEMBL2391184)
Show SMILES CCOC(=O)C1CCCCN1c1ccc(cc1)N1C[C@H](CNC(=O)c2cnc(N)s2)OC1=O |r|
Show InChI InChI=1S/C22H27N5O5S/c1-2-31-20(29)17-5-3-4-10-26(17)14-6-8-15(9-7-14)27-13-16(32-22(27)30)11-24-19(28)18-12-25-21(23)33-18/h6-9,12,16-17H,2-5,10-11,13H2,1H3,(H2,23,25)(H,24,28)/t16-,17?/m0/s1
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 2.87E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435617
PNG
(CHEMBL2391194)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@H](CNCc2ccc(cc2)C(N)=N)OC1=O |r|
Show InChI InChI=1S/C26H33N5O4/c1-2-34-25(32)20-11-13-30(14-12-20)21-7-9-22(10-8-21)31-17-23(35-26(31)33)16-29-15-18-3-5-19(6-4-18)24(27)28/h3-10,20,23,29H,2,11-17H2,1H3,(H3,27,28)/t23-/m0/s1
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 3.43E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435609
PNG
(CHEMBL2391201)
Show SMILES Nc1cc(ccc1Cl)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCC(CC1)C(O)=O |r|
Show InChI InChI=1S/C23H25ClN4O5/c24-19-6-1-15(11-20(19)25)21(29)26-12-18-13-28(23(32)33-18)17-4-2-16(3-5-17)27-9-7-14(8-10-27)22(30)31/h1-6,11,14,18H,7-10,12-13,25H2,(H,26,29)(H,30,31)/t18-/m0/s1
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 3.70E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435626
PNG
(CHEMBL2391185)
Show SMILES CCOC(=O)C1CCN(C(=O)C1)c1ccc(cc1)N1C[C@H](CNC(=O)c2cnc(N)s2)OC1=O |r|
Show InChI InChI=1S/C22H25N5O6S/c1-2-32-20(30)13-7-8-26(18(28)9-13)14-3-5-15(6-4-14)27-12-16(33-22(27)31)10-24-19(29)17-11-25-21(23)34-17/h3-6,11,13,16H,2,7-10,12H2,1H3,(H2,23,25)(H,24,29)/t13?,16-/m0/s1
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 3.82E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435615
PNG
(CHEMBL2391196)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCC(CC1)C(O)=O |r|
Show InChI InChI=1S/C24H27N5O5/c25-21(26)15-1-3-16(4-2-15)22(30)27-13-20-14-29(24(33)34-20)19-7-5-18(6-8-19)28-11-9-17(10-12-28)23(31)32/h1-8,17,20H,9-14H2,(H3,25,26)(H,27,30)(H,31,32)/t20-/m0/s1
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 4.30E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435628
PNG
(CHEMBL2391183)
Show SMILES Nc1ncc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCCC(C1)C(O)=O |r|
Show InChI InChI=1S/C20H23N5O5S/c21-19-23-9-16(31-19)17(26)22-8-15-11-25(20(29)30-15)14-5-3-13(4-6-14)24-7-1-2-12(10-24)18(27)28/h3-6,9,12,15H,1-2,7-8,10-11H2,(H2,21,23)(H,22,26)(H,27,28)/t12?,15-/m0/s1
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 4.75E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435632
PNG
(CHEMBL2391039)
Show SMILES Nc1ncc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCC(CC1)C(O)=O |r|
Show InChI InChI=1S/C20H23N5O5S/c21-19-23-10-16(31-19)17(26)22-9-15-11-25(20(29)30-15)14-3-1-13(2-4-14)24-7-5-12(6-8-24)18(27)28/h1-4,10,12,15H,5-9,11H2,(H2,21,23)(H,22,26)(H,27,28)/t15-/m0/s1
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 4.88E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435629
PNG
(CHEMBL2391042)
Show SMILES CCOC(=O)C1CCCN(C1)c1ccc(cc1)N1C[C@H](CNC(=O)c2cnc(N)s2)OC1=O |r|
Show InChI InChI=1S/C22H27N5O5S/c1-2-31-20(29)14-4-3-9-26(12-14)15-5-7-16(8-6-15)27-13-17(32-22(27)30)10-24-19(28)18-11-25-21(23)33-18/h5-8,11,14,17H,2-4,9-10,12-13H2,1H3,(H2,23,25)(H,24,28)/t14?,17-/m0/s1
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 4.93E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435613
PNG
(CHEMBL2391198)
Show SMILES NC(=N)c1ccc(CNC[C@H]2CN(C(=O)O2)c2ccc(cc2)N2CCC(CC2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C24H29N5O4/c25-22(26)17-3-1-16(2-4-17)13-27-14-21-15-29(24(32)33-21)20-7-5-19(6-8-20)28-11-9-18(10-12-28)23(30)31/h1-8,18,21,27H,9-15H2,(H3,25,26)(H,30,31)/t21-/m0/s1
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 5.41E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435633
PNG
(CHEMBL2391038)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@H](CNC(=O)c2cnc(N)s2)OC1=O |r|
Show InChI InChI=1S/C22H27N5O5S/c1-2-31-20(29)14-7-9-26(10-8-14)15-3-5-16(6-4-15)27-13-17(32-22(27)30)11-24-19(28)18-12-25-21(23)33-18/h3-6,12,14,17H,2,7-11,13H2,1H3,(H2,23,25)(H,24,28)/t17-/m0/s1
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 5.44E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435625
PNG
(CHEMBL2391186)
Show SMILES CCOC(=O)C1(C)CCCN(C1=O)c1ccc(cc1)N1C[C@H](CNC(=O)c2cnc(N)s2)OC1=O |r|
Show InChI InChI=1S/C23H27N5O6S/c1-3-33-20(31)23(2)9-4-10-27(19(23)30)14-5-7-15(8-6-14)28-13-16(34-22(28)32)11-25-18(29)17-12-26-21(24)35-17/h5-8,12,16H,3-4,9-11,13H2,1-2H3,(H2,24,26)(H,25,29)/t16-,23?/m0/s1
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 5.56E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435608
PNG
(CHEMBL2391202)
Show SMILES Nc1cc(ccc1Cl)C(=O)NC[C@@H]1CN(C(=O)O1)c1ccc(cc1)N1CCC(CC1)C(O)=O |r|
Show InChI InChI=1S/C23H25ClN4O5/c24-19-6-1-15(11-20(19)25)21(29)26-12-18-13-28(23(32)33-18)17-4-2-16(3-5-17)27-9-7-14(8-10-27)22(30)31/h1-6,11,14,18H,7-10,12-13,25H2,(H,26,29)(H,30,31)/t18-/m1/s1
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 5.77E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435614
PNG
(CHEMBL2391197)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NC[C@@H]1CN(C(=O)O1)c1ccc(cc1)N1CCC(CC1)C(O)=O |r|
Show InChI InChI=1S/C24H27N5O5/c25-21(26)15-1-3-16(4-2-15)22(30)27-13-20-14-29(24(33)34-20)19-7-5-18(6-8-19)28-11-9-17(10-12-28)23(31)32/h1-8,17,20H,9-14H2,(H3,25,26)(H,27,30)(H,31,32)/t20-/m1/s1
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 6.29E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435610
PNG
(CHEMBL2391200)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@@H](CNC(=O)c2ccc(Cl)c(N)c2)OC1=O |r|
Show InChI InChI=1S/C25H29ClN4O5/c1-2-34-24(32)16-9-11-29(12-10-16)18-4-6-19(7-5-18)30-15-20(35-25(30)33)14-28-23(31)17-3-8-21(26)22(27)13-17/h3-8,13,16,20H,2,9-12,14-15,27H2,1H3,(H,28,31)/t20-/m1/s1
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PubMed
 8.23E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435630
PNG
(CHEMBL2391041)
Show SMILES Nc1ncc(s1)C(=O)NC[C@@H]1CN(C(=O)O1)c1ccc(cc1)N1CCC(CC1)C(O)=O |r|
Show InChI InChI=1S/C20H23N5O5S/c21-19-23-10-16(31-19)17(26)22-9-15-11-25(20(29)30-15)14-3-1-13(2-4-14)24-7-5-12(6-8-24)18(27)28/h1-4,10,12,15H,5-9,11H2,(H2,21,23)(H,22,26)(H,27,28)/t15-/m1/s1
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PubMed
 8.82E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435607
PNG
(CHEMBL2391203)
Show SMILES OC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(Cl)c(c2)-c2nc(=O)o[nH]2)OC1=O |r|
Show InChI InChI=1S/C25H24ClN5O7/c26-20-6-1-15(11-19(20)21-28-24(35)38-29-21)22(32)27-12-18-13-31(25(36)37-18)17-4-2-16(3-5-17)30-9-7-14(8-10-30)23(33)34/h1-6,11,14,18H,7-10,12-13H2,(H,27,32)(H,33,34)(H,28,29,35)/t18-/m0/s1
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PubMed
 8.97E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435620
PNG
(CHEMBL2391191)
Show SMILES OC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@@H](CNCc2ccc(cc2)-c2nc(=O)o[nH]2)OC1=O |r|
Show InChI InChI=1S/C25H27N5O6/c31-23(32)18-9-11-29(12-10-18)19-5-7-20(8-6-19)30-15-21(35-25(30)34)14-26-13-16-1-3-17(4-2-16)22-27-24(33)36-28-22/h1-8,18,21,26H,9-15H2,(H,31,32)(H,27,28,33)/t21-/m1/s1
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PubMed
 9.48E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435619
PNG
(CHEMBL2391192)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(cc2)C(N)=N)OC1=O |r|
Show InChI InChI=1S/C26H31N5O5/c1-2-35-25(33)19-11-13-30(14-12-19)20-7-9-21(10-8-20)31-16-22(36-26(31)34)15-29-24(32)18-5-3-17(4-6-18)23(27)28/h3-10,19,22H,2,11-16H2,1H3,(H3,27,28)(H,29,32)/t22-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435621
PNG
(CHEMBL2391190)
Show SMILES OC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@H](CNCc2ccc(cc2)-c2nc(=O)o[nH]2)OC1=O |r|
Show InChI InChI=1S/C25H27N5O6/c31-23(32)18-9-11-29(12-10-18)19-5-7-20(8-6-19)30-15-21(35-25(30)34)14-26-13-16-1-3-17(4-2-16)22-27-24(33)36-28-22/h1-8,18,21,26H,9-15H2,(H,31,32)(H,27,28,33)/t21-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435618
PNG
(CHEMBL2391193)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@@H](CNC(=O)c2ccc(cc2)C(N)=N)OC1=O |r|
Show InChI InChI=1S/C26H31N5O5/c1-2-35-25(33)19-11-13-30(14-12-19)20-7-9-21(10-8-20)31-16-22(36-26(31)34)15-29-24(32)18-5-3-17(4-6-18)23(27)28/h3-10,19,22H,2,11-16H2,1H3,(H3,27,28)(H,29,32)/t22-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435623
PNG
(CHEMBL2391188)
Show SMILES OC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(cc2)-c2nc(=O)o[nH]2)OC1=O |r|
Show InChI InChI=1S/C25H25N5O7/c31-22(16-3-1-15(2-4-16)21-27-24(34)37-28-21)26-13-20-14-30(25(35)36-20)19-7-5-18(6-8-19)29-11-9-17(10-12-29)23(32)33/h1-8,17,20H,9-14H2,(H,26,31)(H,32,33)(H,27,28,34)/t20-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435622
PNG
(CHEMBL2391189)
Show SMILES OC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@@H](CNC(=O)c2ccc(cc2)-c2nc(=O)o[nH]2)OC1=O |r|
Show InChI InChI=1S/C25H25N5O7/c31-22(16-3-1-15(2-4-16)21-27-24(34)37-28-21)26-13-20-14-30(25(35)36-20)19-7-5-18(6-8-19)29-11-9-17(10-12-29)23(32)33/h1-8,17,20H,9-14H2,(H,26,31)(H,32,33)(H,27,28,34)/t20-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50435631
PNG
(CHEMBL2391040)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@@H](CNC(=O)c2cnc(N)s2)OC1=O |r|
Show InChI InChI=1S/C22H27N5O5S/c1-2-31-20(29)14-7-9-26(10-8-14)15-3-5-16(6-4-15)27-13-17(32-22(27)30)11-24-19(28)18-12-25-21(23)33-18/h3-6,12,14,17H,2,7-11,13H2,1H3,(H2,23,25)(H,24,28)/t17-/m1/s1
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 1.11E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50004058
PNG
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O
Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1
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Article
PubMed
n/an/a 0.370n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435620
PNG
(CHEMBL2391191)
Show SMILES OC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@@H](CNCc2ccc(cc2)-c2nc(=O)o[nH]2)OC1=O |r|
Show InChI InChI=1S/C25H27N5O6/c31-23(32)18-9-11-29(12-10-18)19-5-7-20(8-6-19)30-15-21(35-25(30)34)14-26-13-16-1-3-17(4-2-16)22-27-24(33)36-28-22/h1-8,18,21,26H,9-15H2,(H,31,32)(H,27,28,33)/t21-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435622
PNG
(CHEMBL2391189)
Show SMILES OC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@@H](CNC(=O)c2ccc(cc2)-c2nc(=O)o[nH]2)OC1=O |r|
Show InChI InChI=1S/C25H25N5O7/c31-22(16-3-1-15(2-4-16)21-27-24(34)37-28-21)26-13-20-14-30(25(35)36-20)19-7-5-18(6-8-19)29-11-9-17(10-12-29)23(32)33/h1-8,17,20H,9-14H2,(H,26,31)(H,32,33)(H,27,28,34)/t20-/m1/s1
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n/an/a 870n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435621
PNG
(CHEMBL2391190)
Show SMILES OC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@H](CNCc2ccc(cc2)-c2nc(=O)o[nH]2)OC1=O |r|
Show InChI InChI=1S/C25H27N5O6/c31-23(32)18-9-11-29(12-10-18)19-5-7-20(8-6-19)30-15-21(35-25(30)34)14-26-13-16-1-3-17(4-2-16)22-27-24(33)36-28-22/h1-8,18,21,26H,9-15H2,(H,31,32)(H,27,28,33)/t21-/m0/s1
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n/an/a 890n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50365123
PNG
(CHEMBL1952407)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2ccc(cc12)N(CC(O)=O)Cc1ccc(F)c(F)c1
Show InChI InChI=1S/C27H28F2N4O4/c1-27(16-36-20-7-4-18(5-8-20)26(30)31)15-32(2)23-12-19(6-10-24(23)37-27)33(14-25(34)35)13-17-3-9-21(28)22(29)11-17/h3-12H,13-16H2,1-2H3,(H3,30,31)(H,34,35)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435613
PNG
(CHEMBL2391198)
Show SMILES NC(=N)c1ccc(CNC[C@H]2CN(C(=O)O2)c2ccc(cc2)N2CCC(CC2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C24H29N5O4/c25-22(26)17-3-1-16(2-4-17)13-27-14-21-15-29(24(32)33-21)20-7-5-19(6-8-20)28-11-9-18(10-12-28)23(30)31/h1-8,18,21,27H,9-15H2,(H3,25,26)(H,30,31)/t21-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435614
PNG
(CHEMBL2391197)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NC[C@@H]1CN(C(=O)O1)c1ccc(cc1)N1CCC(CC1)C(O)=O |r|
Show InChI InChI=1S/C24H27N5O5/c25-21(26)15-1-3-16(4-2-15)22(30)27-13-20-14-29(24(33)34-20)19-7-5-18(6-8-19)28-11-9-17(10-12-28)23(31)32/h1-8,17,20H,9-14H2,(H3,25,26)(H,27,30)(H,31,32)/t20-/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435615
PNG
(CHEMBL2391196)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCC(CC1)C(O)=O |r|
Show InChI InChI=1S/C24H27N5O5/c25-21(26)15-1-3-16(4-2-15)22(30)27-13-20-14-29(24(33)34-20)19-7-5-18(6-8-19)28-11-9-17(10-12-28)23(31)32/h1-8,17,20H,9-14H2,(H3,25,26)(H,27,30)(H,31,32)/t20-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435608
PNG
(CHEMBL2391202)
Show SMILES Nc1cc(ccc1Cl)C(=O)NC[C@@H]1CN(C(=O)O1)c1ccc(cc1)N1CCC(CC1)C(O)=O |r|
Show InChI InChI=1S/C23H25ClN4O5/c24-19-6-1-15(11-20(19)25)21(29)26-12-18-13-28(23(32)33-18)17-4-2-16(3-5-17)27-9-7-14(8-10-27)22(30)31/h1-6,11,14,18H,7-10,12-13,25H2,(H,26,29)(H,30,31)/t18-/m1/s1
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n/an/a 1.28E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435619
PNG
(CHEMBL2391192)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(cc2)C(N)=N)OC1=O |r|
Show InChI InChI=1S/C26H31N5O5/c1-2-35-25(33)19-11-13-30(14-12-19)20-7-9-21(10-8-20)31-16-22(36-26(31)34)15-29-24(32)18-5-3-17(4-6-18)23(27)28/h3-10,19,22H,2,11-16H2,1H3,(H3,27,28)(H,29,32)/t22-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435607
PNG
(CHEMBL2391203)
Show SMILES OC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(Cl)c(c2)-c2nc(=O)o[nH]2)OC1=O |r|
Show InChI InChI=1S/C25H24ClN5O7/c26-20-6-1-15(11-19(20)21-28-24(35)38-29-21)22(32)27-12-18-13-31(25(36)37-18)17-4-2-16(3-5-17)30-9-7-14(8-10-30)23(33)34/h1-6,11,14,18H,7-10,12-13H2,(H,27,32)(H,33,34)(H,28,29,35)/t18-/m0/s1
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n/an/a 1.53E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435623
PNG
(CHEMBL2391188)
Show SMILES OC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(cc2)-c2nc(=O)o[nH]2)OC1=O |r|
Show InChI InChI=1S/C25H25N5O7/c31-22(16-3-1-15(2-4-16)21-27-24(34)37-28-21)26-13-20-14-30(25(35)36-20)19-7-5-18(6-8-19)29-11-9-17(10-12-29)23(32)33/h1-8,17,20H,9-14H2,(H,26,31)(H,32,33)(H,27,28,34)/t20-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435630
PNG
(CHEMBL2391041)
Show SMILES Nc1ncc(s1)C(=O)NC[C@@H]1CN(C(=O)O1)c1ccc(cc1)N1CCC(CC1)C(O)=O |r|
Show InChI InChI=1S/C20H23N5O5S/c21-19-23-10-16(31-19)17(26)22-9-15-11-25(20(29)30-15)14-3-1-13(2-4-14)24-7-5-12(6-8-24)18(27)28/h1-4,10,12,15H,5-9,11H2,(H2,21,23)(H,22,26)(H,27,28)/t15-/m1/s1
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n/an/a 1.68E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435609
PNG
(CHEMBL2391201)
Show SMILES Nc1cc(ccc1Cl)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCC(CC1)C(O)=O |r|
Show InChI InChI=1S/C23H25ClN4O5/c24-19-6-1-15(11-20(19)25)21(29)26-12-18-13-28(23(32)33-18)17-4-2-16(3-5-17)27-9-7-14(8-10-27)22(30)31/h1-6,11,14,18H,7-10,12-13,25H2,(H,26,29)(H,30,31)/t18-/m0/s1
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n/an/a 2.58E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435616
PNG
(CHEMBL2391195)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@@H](CNCc2ccc(cc2)C(N)=N)OC1=O |r|
Show InChI InChI=1S/C26H33N5O4/c1-2-34-25(32)20-11-13-30(14-12-20)21-7-9-22(10-8-21)31-17-23(35-26(31)33)16-29-15-18-3-5-19(6-4-18)24(27)28/h3-10,20,23,29H,2,11-17H2,1H3,(H3,27,28)/t23-/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435617
PNG
(CHEMBL2391194)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@H](CNCc2ccc(cc2)C(N)=N)OC1=O |r|
Show InChI InChI=1S/C26H33N5O4/c1-2-34-25(32)20-11-13-30(14-12-20)21-7-9-22(10-8-21)31-17-23(35-26(31)33)16-29-15-18-3-5-19(6-4-18)24(27)28/h3-10,20,23,29H,2,11-17H2,1H3,(H3,27,28)/t23-/m0/s1
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n/an/a 5.50E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435632
PNG
(CHEMBL2391039)
Show SMILES Nc1ncc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCC(CC1)C(O)=O |r|
Show InChI InChI=1S/C20H23N5O5S/c21-19-23-10-16(31-19)17(26)22-9-15-11-25(20(29)30-15)14-3-1-13(2-4-14)24-7-5-12(6-8-24)18(27)28/h1-4,10,12,15H,5-9,11H2,(H2,21,23)(H,22,26)(H,27,28)/t15-/m0/s1
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n/an/a 7.84E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435618
PNG
(CHEMBL2391193)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@@H](CNC(=O)c2ccc(cc2)C(N)=N)OC1=O |r|
Show InChI InChI=1S/C26H31N5O5/c1-2-35-25(33)19-11-13-30(14-12-19)20-7-9-21(10-8-20)31-16-22(36-26(31)34)15-29-24(32)18-5-3-17(4-6-18)23(27)28/h3-10,19,22H,2,11-16H2,1H3,(H3,27,28)(H,29,32)/t22-/m1/s1
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n/an/a 9.60E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435633
PNG
(CHEMBL2391038)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@H](CNC(=O)c2cnc(N)s2)OC1=O |r|
Show InChI InChI=1S/C22H27N5O5S/c1-2-31-20(29)14-7-9-26(10-8-14)15-3-5-16(6-4-15)27-13-17(32-22(27)30)11-24-19(28)18-12-25-21(23)33-18/h3-6,12,14,17H,2,7-11,13H2,1H3,(H2,23,25)(H,24,28)/t17-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435625
PNG
(CHEMBL2391186)
Show SMILES CCOC(=O)C1(C)CCCN(C1=O)c1ccc(cc1)N1C[C@H](CNC(=O)c2cnc(N)s2)OC1=O |r|
Show InChI InChI=1S/C23H27N5O6S/c1-3-33-20(31)23(2)9-4-10-27(19(23)30)14-5-7-15(8-6-14)28-13-16(34-22(28)32)11-25-18(29)17-12-26-21(24)35-17/h5-8,12,16H,3-4,9-11,13H2,1-2H3,(H2,24,26)(H,25,29)/t16-,23?/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435610
PNG
(CHEMBL2391200)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@@H](CNC(=O)c2ccc(Cl)c(N)c2)OC1=O |r|
Show InChI InChI=1S/C25H29ClN4O5/c1-2-34-24(32)16-9-11-29(12-10-16)18-4-6-19(7-5-18)30-15-20(35-25(30)33)14-28-23(31)17-3-8-21(26)22(27)13-17/h3-8,13,16,20H,2,9-12,14-15,27H2,1H3,(H,28,31)/t20-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435628
PNG
(CHEMBL2391183)
Show SMILES Nc1ncc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCCC(C1)C(O)=O |r|
Show InChI InChI=1S/C20H23N5O5S/c21-19-23-9-16(31-19)17(26)22-8-15-11-25(20(29)30-15)14-5-3-13(4-6-14)24-7-1-2-12(10-24)18(27)28/h3-6,9,12,15H,1-2,7-8,10-11H2,(H2,21,23)(H,22,26)(H,27,28)/t12?,15-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435631
PNG
(CHEMBL2391040)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@@H](CNC(=O)c2cnc(N)s2)OC1=O |r|
Show InChI InChI=1S/C22H27N5O5S/c1-2-31-20(29)14-7-9-26(10-8-14)15-3-5-16(6-4-15)27-13-17(32-22(27)30)11-24-19(28)18-12-25-21(23)33-18/h3-6,12,14,17H,2,7-11,13H2,1H3,(H2,23,25)(H,24,28)/t17-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435629
PNG
(CHEMBL2391042)
Show SMILES CCOC(=O)C1CCCN(C1)c1ccc(cc1)N1C[C@H](CNC(=O)c2cnc(N)s2)OC1=O |r|
Show InChI InChI=1S/C22H27N5O5S/c1-2-31-20(29)14-4-3-9-26(12-14)15-5-7-16(8-6-15)27-13-17(32-22(27)30)10-24-19(28)18-11-25-21(23)33-18/h5-8,11,14,17H,2-4,9-10,12-13H2,1H3,(H2,23,25)(H,24,28)/t14?,17-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435611
PNG
(CHEMBL2391199)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(Cl)c(N)c2)OC1=O |r|
Show InChI InChI=1S/C25H29ClN4O5/c1-2-34-24(32)16-9-11-29(12-10-16)18-4-6-19(7-5-18)30-15-20(35-25(30)33)14-28-23(31)17-3-8-21(26)22(27)13-17/h3-8,13,16,20H,2,9-12,14-15,27H2,1H3,(H,28,31)/t20-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435627
PNG
(CHEMBL2391184)
Show SMILES CCOC(=O)C1CCCCN1c1ccc(cc1)N1C[C@H](CNC(=O)c2cnc(N)s2)OC1=O |r|
Show InChI InChI=1S/C22H27N5O5S/c1-2-31-20(29)17-5-3-4-10-26(17)14-6-8-15(9-7-14)27-13-16(32-22(27)30)11-24-19(28)18-12-25-21(23)33-18/h6-9,12,16-17H,2-5,10-11,13H2,1H3,(H2,23,25)(H,24,28)/t16-,17?/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435624
PNG
(CHEMBL2391187)
Show SMILES CC1(CCCN(C1=O)c1ccc(cc1)N1C[C@H](CNC(=O)c2cnc(N)s2)OC1=O)C(O)=O |r|
Show InChI InChI=1S/C21H23N5O6S/c1-21(18(29)30)7-2-8-25(17(21)28)12-3-5-13(6-4-12)26-11-14(32-20(26)31)9-23-16(27)15-10-24-19(22)33-15/h3-6,10,14H,2,7-9,11H2,1H3,(H2,22,24)(H,23,27)(H,29,30)/t14-,21?/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435612
PNG
(CHEMBL2391036)
Show SMILES OC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C21H22ClN3O5S/c22-18-6-5-17(31-18)19(26)23-11-16-12-25(21(29)30-16)15-3-1-14(2-4-15)24-9-7-13(8-10-24)20(27)28/h1-6,13,16H,7-12H2,(H,23,26)(H,27,28)/t16-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435634
PNG
(CHEMBL2391037)
Show SMILES OC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C21H22ClN3O5S/c22-18-6-5-17(31-18)19(26)23-11-16-12-25(21(29)30-16)15-3-1-14(2-4-15)24-9-7-13(8-10-24)20(27)28/h1-6,13,16H,7-12H2,(H,23,26)(H,27,28)/t16-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50435626
PNG
(CHEMBL2391185)
Show SMILES CCOC(=O)C1CCN(C(=O)C1)c1ccc(cc1)N1C[C@H](CNC(=O)c2cnc(N)s2)OC1=O |r|
Show InChI InChI=1S/C22H25N5O6S/c1-2-32-20(30)13-7-8-26(18(28)9-13)14-3-5-15(6-4-14)27-12-16(33-22(27)31)10-24-19(29)17-11-25-21(23)34-17/h3-6,11,13,16H,2,7-10,12H2,1H3,(H2,23,25)(H,24,29)/t13?,16-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay

Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%