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PubMed code 23376251

Compile data set for download or QSAR
Found 32 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
Prothrombin


(Homo sapiens (Human))
BDBM50429811
PNG
(CHEMBL2337670)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC[C@H](COc3ccc(cc3)C(N)=[NH2+])Oc2c1 |r|
Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)36-22(17-35-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m0/s1
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78n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin) using S-2238 as substrate preincubated with enzyme for 15 mins prior to substrate addition measured every 10 ...


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50429807
PNG
(CHEMBL2337674)
Show SMILES NC(=N)c1ccc(OC[C@H]2COc3ccc(cc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-21-11-8-18(12-22(21)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m0/s1
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266n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin) using S-2238 as substrate preincubated with enzyme for 15 mins prior to substrate addition measured every 10 ...


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50429813
PNG
(CHEMBL2337676)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2O[C@@H](COc3ccc(cc3)C(N)=[NH2+])COc2c1 |r|
Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)35-17-22(36-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m0/s1
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436n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin) using S-2238 as substrate preincubated with enzyme for 15 mins prior to substrate addition measured every 10 ...


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50429812
PNG
(CHEMBL2337669)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC[C@@H](COc3ccc(cc3)C(N)=[NH2+])Oc2c1 |r|
Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)36-22(17-35-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m1/s1
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637n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using S-2222 as susbtrate preincubated with enzyme for 15 mins prior to substrate addition measured every 1...


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50429812
PNG
(CHEMBL2337669)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC[C@@H](COc3ccc(cc3)C(N)=[NH2+])Oc2c1 |r|
Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)36-22(17-35-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m1/s1
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675n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin) using S-2238 as substrate preincubated with enzyme for 15 mins prior to substrate addition measured every 10 ...


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50429808
PNG
(CHEMBL2337673)
Show SMILES NC(=N)c1ccc(OC[C@@H]2COc3ccc(cc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-21-11-8-18(12-22(21)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m1/s1
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1.27E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using S-2222 as susbtrate preincubated with enzyme for 15 mins prior to substrate addition measured every 1...


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50429813
PNG
(CHEMBL2337676)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2O[C@@H](COc3ccc(cc3)C(N)=[NH2+])COc2c1 |r|
Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)35-17-22(36-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m0/s1
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1.51E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using S-2222 as susbtrate preincubated with enzyme for 15 mins prior to substrate addition measured every 1...


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50429814
PNG
(CHEMBL2337675)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2O[C@H](COc3ccc(cc3)C(N)=[NH2+])COc2c1 |r|
Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)35-17-22(36-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m1/s1
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1.65E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin) using S-2238 as substrate preincubated with enzyme for 15 mins prior to substrate addition measured every 10 ...


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50429809
PNG
(CHEMBL2337672)
Show SMILES NC(=N)c1ccc(OC[C@H]2COc3cc(ccc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-22-12-18(8-11-21(22)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m0/s1
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1.67E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin) using S-2238 as substrate preincubated with enzyme for 15 mins prior to substrate addition measured every 10 ...


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50429809
PNG
(CHEMBL2337672)
Show SMILES NC(=N)c1ccc(OC[C@H]2COc3cc(ccc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-22-12-18(8-11-21(22)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m0/s1
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1.96E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using S-2222 as susbtrate preincubated with enzyme for 15 mins prior to substrate addition measured every 1...


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50429814
PNG
(CHEMBL2337675)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2O[C@H](COc3ccc(cc3)C(N)=[NH2+])COc2c1 |r|
Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)35-17-22(36-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m1/s1
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2.15E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using S-2222 as susbtrate preincubated with enzyme for 15 mins prior to substrate addition measured every 1...


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50429808
PNG
(CHEMBL2337673)
Show SMILES NC(=N)c1ccc(OC[C@@H]2COc3ccc(cc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-21-11-8-18(12-22(21)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m1/s1
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2.69E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin) using S-2238 as substrate preincubated with enzyme for 15 mins prior to substrate addition measured every 10 ...


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50429811
PNG
(CHEMBL2337670)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC[C@H](COc3ccc(cc3)C(N)=[NH2+])Oc2c1 |r|
Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)36-22(17-35-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using S-2222 as susbtrate preincubated with enzyme for 15 mins prior to substrate addition measured every 1...


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50429807
PNG
(CHEMBL2337674)
Show SMILES NC(=N)c1ccc(OC[C@H]2COc3ccc(cc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-21-11-8-18(12-22(21)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m0/s1
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5.08E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using S-2222 as susbtrate preincubated with enzyme for 15 mins prior to substrate addition measured every 1...


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50429810
PNG
(CHEMBL2337671)
Show SMILES NC(=N)c1ccc(OC[C@@H]2COc3cc(ccc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-22-12-18(8-11-21(22)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m1/s1
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5.18E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin) using S-2238 as substrate preincubated with enzyme for 15 mins prior to substrate addition measured every 10 ...


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50429810
PNG
(CHEMBL2337671)
Show SMILES NC(=N)c1ccc(OC[C@@H]2COc3cc(ccc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-22-12-18(8-11-21(22)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m1/s1
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5.19E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using S-2222 as susbtrate preincubated with enzyme for 15 mins prior to substrate addition measured every 1...


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50429809
PNG
(CHEMBL2337672)
Show SMILES NC(=N)c1ccc(OC[C@H]2COc3cc(ccc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-22-12-18(8-11-21(22)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m0/s1
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n/an/a 665n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to human GP 2b/3a after 2 hrs by solid-phase competitive displacement assay


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50429810
PNG
(CHEMBL2337671)
Show SMILES NC(=N)c1ccc(OC[C@@H]2COc3cc(ccc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-22-12-18(8-11-21(22)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m1/s1
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n/an/a 1.21E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to human GP 2b/3a after 2 hrs by solid-phase competitive displacement assay


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50429808
PNG
(CHEMBL2337673)
Show SMILES NC(=N)c1ccc(OC[C@@H]2COc3ccc(cc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-21-11-8-18(12-22(21)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m1/s1
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n/an/a 1.76E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to human GP 2b/3a after 2 hrs by solid-phase competitive displacement assay


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50429807
PNG
(CHEMBL2337674)
Show SMILES NC(=N)c1ccc(OC[C@H]2COc3ccc(cc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-21-11-8-18(12-22(21)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m0/s1
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n/an/a 4.26E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to human GP 2b/3a after 2 hrs by solid-phase competitive displacement assay


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50429812
PNG
(CHEMBL2337669)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC[C@@H](COc3ccc(cc3)C(N)=[NH2+])Oc2c1 |r|
Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)36-22(17-35-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to human alphavbeta3 integrin receptor after 2 hrs by solid-phase competitive displacement assay


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50429813
PNG
(CHEMBL2337676)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2O[C@@H](COc3ccc(cc3)C(N)=[NH2+])COc2c1 |r|
Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)35-17-22(36-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to human GP 2b/3a after 2 hrs by solid-phase competitive displacement assay


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50429814
PNG
(CHEMBL2337675)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2O[C@H](COc3ccc(cc3)C(N)=[NH2+])COc2c1 |r|
Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)35-17-22(36-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to human GP 2b/3a after 2 hrs by solid-phase competitive displacement assay


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50429812
PNG
(CHEMBL2337669)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC[C@@H](COc3ccc(cc3)C(N)=[NH2+])Oc2c1 |r|
Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)36-22(17-35-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to human GP 2b/3a after 2 hrs by solid-phase competitive displacement assay


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50429814
PNG
(CHEMBL2337675)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2O[C@H](COc3ccc(cc3)C(N)=[NH2+])COc2c1 |r|
Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)35-17-22(36-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to human alphavbeta3 integrin receptor after 2 hrs by solid-phase competitive displacement assay


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50429811
PNG
(CHEMBL2337670)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC[C@H](COc3ccc(cc3)C(N)=[NH2+])Oc2c1 |r|
Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)36-22(17-35-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to human alphavbeta3 integrin receptor after 2 hrs by solid-phase competitive displacement assay


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50429811
PNG
(CHEMBL2337670)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC[C@H](COc3ccc(cc3)C(N)=[NH2+])Oc2c1 |r|
Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)36-22(17-35-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to human GP 2b/3a after 2 hrs by solid-phase competitive displacement assay


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50429813
PNG
(CHEMBL2337676)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2O[C@@H](COc3ccc(cc3)C(N)=[NH2+])COc2c1 |r|
Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)35-17-22(36-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to human alphavbeta3 integrin receptor after 2 hrs by solid-phase competitive displacement assay


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50429809
PNG
(CHEMBL2337672)
Show SMILES NC(=N)c1ccc(OC[C@H]2COc3cc(ccc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-22-12-18(8-11-21(22)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to human alphavbeta3 integrin receptor after 2 hrs by solid-phase competitive displacement assay


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50429808
PNG
(CHEMBL2337673)
Show SMILES NC(=N)c1ccc(OC[C@@H]2COc3ccc(cc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-21-11-8-18(12-22(21)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to human alphavbeta3 integrin receptor after 2 hrs by solid-phase competitive displacement assay


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50429810
PNG
(CHEMBL2337671)
Show SMILES NC(=N)c1ccc(OC[C@@H]2COc3cc(ccc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-22-12-18(8-11-21(22)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to human alphavbeta3 integrin receptor after 2 hrs by solid-phase competitive displacement assay


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50429807
PNG
(CHEMBL2337674)
Show SMILES NC(=N)c1ccc(OC[C@H]2COc3ccc(cc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-21-11-8-18(12-22(21)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to human alphavbeta3 integrin receptor after 2 hrs by solid-phase competitive displacement assay


Eur J Med Chem 62: 329-40 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.002
BindingDB Entry DOI: 10.7270/Q2445NTR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%