new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 259 hits with Last Name = 'ilaš' and Initial = 'j'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM7840
PNG
(RIVAROXABAN | US8822458, 44 | US8822458, 97)
Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
Show InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem
PDB
Article
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)
Thrombin and coagulation factor X


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

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
6.30n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50403106
PNG
(CHEMBL2216916)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2O[C@@H](COc3ccc(cc3)C(N)=N)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)/t22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Eur J Med Chem 58: 160-70 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.001
BindingDB Entry DOI: 10.7270/Q2J38TRF
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50365131
PNG
(CHEMBL1949838)
Show SMILES CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H30F2N4O5/c1-4-38-28(37)27(36)35(15-18-11-20(30)13-21(31)12-18)22-7-10-24-25(14-22)40-29(2,16-34(24)3)17-39-23-8-5-19(6-9-23)26(32)33/h5-14H,4,15-17H2,1-3H3,(H3,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50365121
PNG
(CHEMBL1952405)
Show SMILES CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-6-5-7-21(30)14-19)22-10-13-24-25(15-22)39-29(2,17-33(24)3)18-38-23-11-8-20(9-12-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
19n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50365116
PNG
(CHEMBL1952401)
Show SMILES CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-5-9-21(30)10-6-19)22-11-14-24-25(15-22)39-29(2,17-33(24)3)18-38-23-12-7-20(8-13-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
23n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50365126
PNG
(CHEMBL1952410)
Show SMILES CCOC(=O)C(=O)N(Cc1ccc(F)c(F)c1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H30F2N4O5/c1-4-38-28(37)27(36)35(15-18-5-11-22(30)23(31)13-18)20-8-12-24-25(14-20)40-29(2,16-34(24)3)17-39-21-9-6-19(7-10-21)26(32)33/h5-14H,4,15-17H2,1-3H3,(H3,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
28n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50253817
PNG
(CHEMBL460144 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-24-25(16-22)38-29(2,18-32(24)3)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
42n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and 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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50365132
PNG
(CHEMBL1949839)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1cc(F)cc(F)c1)C(=O)C(O)=O
Show InChI InChI=1S/C27H26F2N4O5/c1-27(15-37-21-6-3-17(4-7-21)24(30)31)14-32(2)22-8-5-20(12-23(22)38-27)33(25(34)26(35)36)13-16-9-18(28)11-19(29)10-16/h3-12H,13-15H2,1-2H3,(H3,30,31)(H,35,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
150n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50403105
PNG
(CHEMBL2216917)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC(COc3ccc(cc3)C(N)=N)COc2c1
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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
178n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Eur J Med Chem 58: 160-70 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.001
BindingDB Entry DOI: 10.7270/Q2J38TRF
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50253818
PNG
(2-(Benzyl{2-[(4-carbamimidoylphenoxy)methyl]-2,4-d...)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)C(O)=O
Show InChI InChI=1S/C27H28N4O5/c1-27(17-35-21-11-8-19(9-12-21)24(28)29)16-30(2)22-13-10-20(14-23(22)36-27)31(25(32)26(33)34)15-18-6-4-3-5-7-18/h3-14H,15-17H2,1-2H3,(H3,28,29)(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
190n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50365129
PNG
(CHEMBL1949836)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(CC(O)=O)Cc1cc(F)cc(F)c1
Show InChI InChI=1S/C27H28F2N4O4/c1-27(16-36-22-6-3-18(4-7-22)26(30)31)15-32(2)23-8-5-21(12-24(23)37-27)33(14-25(34)35)13-17-9-19(28)11-20(29)10-17/h3-12H,13-16H2,1-2H3,(H3,30,31)(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
200n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50253858
PNG
(CHEMBL461210 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-25-24(16-22)32(3)18-29(2,38-25)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
220n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50365114
PNG
(CHEMBL1952399)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(CC(O)=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C27H29FN4O4/c1-27(17-35-22-10-5-19(6-11-22)26(29)30)16-31(2)23-12-9-21(13-24(23)36-27)32(15-25(33)34)14-18-3-7-20(28)8-4-18/h3-13H,14-17H2,1-2H3,(H3,29,30)(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
240n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50365122
PNG
(CHEMBL1952406)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1cccc(F)c1)C(=O)C(O)=O
Show InChI InChI=1S/C27H27FN4O5/c1-27(16-36-21-9-6-18(7-10-21)24(29)30)15-31(2)22-11-8-20(13-23(22)37-27)32(25(33)26(34)35)14-17-4-3-5-19(28)12-17/h3-13H,14-16H2,1-2H3,(H3,29,30)(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
240n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50365117
PNG
(CHEMBL1952402)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccc(F)cc1)C(=O)C(O)=O
Show InChI InChI=1S/C27H27FN4O5/c1-27(16-36-21-10-5-18(6-11-21)24(29)30)15-31(2)22-12-9-20(13-23(22)37-27)32(25(33)26(34)35)14-17-3-7-19(28)8-4-17/h3-13H,14-16H2,1-2H3,(H3,29,30)(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
260n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and 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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50365127
PNG
(CHEMBL1952411)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccc(F)c(F)c1)C(=O)C(O)=O
Show InChI InChI=1S/C27H26F2N4O5/c1-27(15-37-19-7-4-17(5-8-19)24(30)31)14-32(2)22-10-6-18(12-23(22)38-27)33(25(34)26(35)36)13-16-3-9-20(28)21(29)11-16/h3-12H,13-15H2,1-2H3,(H3,30,31)(H,35,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
290n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349614
PNG
(CHEMBL1808954)
Show SMILES CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H30F2N4O5/c1-4-38-28(37)27(36)35(15-18-11-20(30)13-21(31)12-18)22-7-10-25-24(14-22)34(3)16-29(2,40-25)17-39-23-8-5-19(6-9-23)26(32)33/h5-14H,4,15-17H2,1-3H3,(H3,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
290n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349614
PNG
(CHEMBL1808954)
Show SMILES CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H30F2N4O5/c1-4-38-28(37)27(36)35(15-18-11-20(30)13-21(31)12-18)22-7-10-25-24(14-22)34(3)16-29(2,40-25)17-39-23-8-5-19(6-9-23)26(32)33/h5-14H,4,15-17H2,1-3H3,(H3,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
290n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349611
PNG
(CHEMBL1808951 | CHEMBL2216905)
Show SMILES CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-6-5-7-21(30)14-19)22-10-13-25-24(15-22)33(3)17-29(2,39-25)18-38-23-11-8-20(9-12-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
300n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349611
PNG
(CHEMBL1808951 | CHEMBL2216905)
Show SMILES CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-6-5-7-21(30)14-19)22-10-13-25-24(15-22)33(3)17-29(2,39-25)18-38-23-11-8-20(9-12-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
300n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349616
PNG
(CHEMBL1808956)
Show SMILES CCOC(=O)CN(Cc1ccc(F)cc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H33FN4O4/c1-4-36-27(35)17-34(16-20-5-9-22(30)10-6-20)23-11-14-25-26(15-23)38-29(2,18-33(25)3)19-37-24-12-7-21(8-13-24)28(31)32/h5-15H,4,16-19H2,1-3H3,(H3,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
310n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50365119
PNG
(CHEMBL1949701)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(CC(O)=O)Cc1cccc(F)c1
Show InChI InChI=1S/C27H29FN4O4/c1-27(17-35-22-9-6-19(7-10-22)26(29)30)16-31(2)23-11-8-21(13-24(23)36-27)32(15-25(33)34)14-18-4-3-5-20(28)12-18/h3-13H,14-17H2,1-2H3,(H3,29,30)(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
320n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50253780
PNG
(CHEMBL517875 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)
Show SMILES CCOC(=O)CN(Cc1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H34N4O4/c1-4-35-27(34)18-33(17-21-8-6-5-7-9-21)23-12-15-25-26(16-23)37-29(2,19-32(25)3)20-36-24-13-10-22(11-14-24)28(30)31/h5-16H,4,17-20H2,1-3H3,(H3,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
320n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349612
PNG
(CHEMBL1808952)
Show SMILES CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-5-9-21(30)10-6-19)22-11-14-25-24(15-22)33(3)17-29(2,39-25)18-38-23-12-7-20(8-13-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
330n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
330n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349612
PNG
(CHEMBL1808952)
Show SMILES CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-5-9-21(30)10-6-19)22-11-14-25-24(15-22)33(3)17-29(2,39-25)18-38-23-12-7-20(8-13-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
330n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349615
PNG
(CHEMBL1808955)
Show SMILES CCOC(=O)CN(Cc1cccc(F)c1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H33FN4O4/c1-4-36-27(35)17-34(16-20-6-5-7-22(30)14-20)23-10-13-25-26(15-23)38-29(2,18-33(25)3)19-37-24-11-8-21(9-12-24)28(31)32/h5-15H,4,16-19H2,1-3H3,(H3,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
350n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349615
PNG
(CHEMBL1808955)
Show SMILES CCOC(=O)CN(Cc1cccc(F)c1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H33FN4O4/c1-4-36-27(35)17-34(16-20-6-5-7-22(30)14-20)23-10-13-25-26(15-23)38-29(2,18-33(25)3)19-37-24-11-8-21(9-12-24)28(31)32/h5-15H,4,16-19H2,1-3H3,(H3,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
350n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349616
PNG
(CHEMBL1808956)
Show SMILES CCOC(=O)CN(Cc1ccc(F)cc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H33FN4O4/c1-4-36-27(35)17-34(16-20-5-9-22(30)10-6-20)23-11-14-25-26(15-23)38-29(2,18-33(25)3)19-37-24-12-7-21(8-13-24)28(31)32/h5-15H,4,16-19H2,1-3H3,(H3,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
360n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349613
PNG
(CHEMBL1808953)
Show SMILES CCOC(=O)C(=O)N(Cc1ccc(F)c(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H30F2N4O5/c1-4-38-28(37)27(36)35(15-18-5-11-22(30)23(31)13-18)20-8-12-25-24(14-20)34(3)16-29(2,40-25)17-39-21-9-6-19(7-10-21)26(32)33/h5-14H,4,15-17H2,1-3H3,(H3,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
370n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349613
PNG
(CHEMBL1808953)
Show SMILES CCOC(=O)C(=O)N(Cc1ccc(F)c(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H30F2N4O5/c1-4-38-28(37)27(36)35(15-18-5-11-22(30)23(31)13-18)20-8-12-25-24(14-20)34(3)16-29(2,40-25)17-39-21-9-6-19(7-10-21)26(32)33/h5-14H,4,15-17H2,1-3H3,(H3,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
370n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349617
PNG
(CHEMBL1808957)
Show SMILES CCOC(=O)CN(Cc1ccc(F)c(F)c1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H32F2N4O4/c1-4-37-27(36)16-35(15-19-5-11-23(30)24(31)13-19)21-8-12-25-26(14-21)39-29(2,17-34(25)3)18-38-22-9-6-20(7-10-22)28(32)33/h5-14H,4,15-18H2,1-3H3,(H3,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
430n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349617
PNG
(CHEMBL1808957)
Show SMILES CCOC(=O)CN(Cc1ccc(F)c(F)c1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H32F2N4O4/c1-4-37-27(36)16-35(15-19-5-11-23(30)24(31)13-19)21-8-12-25-26(14-21)39-29(2,17-34(25)3)18-38-22-9-6-20(7-10-22)28(32)33/h5-14H,4,15-18H2,1-3H3,(H3,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
430n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and 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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349618
PNG
(CHEMBL1808958)
Show SMILES CCOC(=O)CN(Cc1cc(F)cc(F)c1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H32F2N4O4/c1-4-37-27(36)16-35(15-19-11-21(30)13-22(31)12-19)23-7-10-25-26(14-23)39-29(2,17-34(25)3)18-38-24-8-5-20(6-9-24)28(32)33/h5-14H,4,15-18H2,1-3H3,(H3,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
480n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349618
PNG
(CHEMBL1808958)
Show SMILES CCOC(=O)CN(Cc1cc(F)cc(F)c1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H32F2N4O4/c1-4-37-27(36)16-35(15-19-11-21(30)13-22(31)12-19)23-7-10-25-26(14-23)39-29(2,17-34(25)3)18-38-24-8-5-20(6-9-24)28(32)33/h5-14H,4,15-18H2,1-3H3,(H3,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
480n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50253859
PNG
(2-(Benzyl{2-[(4-carbamimidoylphenoxy)methyl]-2,4-d...)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2ccc(cc12)N(Cc1ccccc1)C(=O)C(O)=O
Show InChI InChI=1S/C27H28N4O5/c1-27(17-35-21-11-8-19(9-12-21)24(28)29)16-30(2)22-14-20(10-13-23(22)36-27)31(25(32)26(33)34)15-18-6-4-3-5-7-18/h3-14H,15-17H2,1-2H3,(H3,28,29)(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
620n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349609
PNG
(CHEMBL1808949)
Show SMILES CCOC(=O)CN(Cc1ccc(F)c(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H32F2N4O4/c1-4-37-27(36)16-35(15-19-5-11-23(30)24(31)13-19)21-8-12-26-25(14-21)34(3)17-29(2,39-26)18-38-22-9-6-20(7-10-22)28(32)33/h5-14H,4,15-18H2,1-3H3,(H3,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
660n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50365118
PNG
(CHEMBL1952403)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2ccc(cc12)N(CC(O)=O)Cc1cccc(F)c1
Show InChI InChI=1S/C27H29FN4O4/c1-27(17-35-22-9-6-19(7-10-22)26(29)30)16-31(2)23-13-21(8-11-24(23)36-27)32(15-25(33)34)14-18-4-3-5-20(28)12-18/h3-13H,14-17H2,1-2H3,(H3,29,30)(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
670n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and 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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349608
PNG
(CHEMBL1808948)
Show SMILES CCOC(=O)CN(Cc1ccc(F)cc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H33FN4O4/c1-4-36-27(35)17-34(16-20-5-9-22(30)10-6-20)23-11-14-26-25(15-23)33(3)18-29(2,38-26)19-37-24-12-7-21(8-13-24)28(31)32/h5-15H,4,16-19H2,1-3H3,(H3,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
690n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349608
PNG
(CHEMBL1808948)
Show SMILES CCOC(=O)CN(Cc1ccc(F)cc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H33FN4O4/c1-4-36-27(35)17-34(16-20-5-9-22(30)10-6-20)23-11-14-26-25(15-23)33(3)18-29(2,38-26)19-37-24-12-7-21(8-13-24)28(31)32/h5-15H,4,16-19H2,1-3H3,(H3,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
720n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50253816
PNG
(CHEMBL460143 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)
Show SMILES CCOC(=O)CN(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H34N4O4/c1-4-35-27(34)18-33(17-21-8-6-5-7-9-21)23-12-15-26-25(16-23)32(3)19-29(2,37-26)20-36-24-13-10-22(11-14-24)28(30)31/h5-16H,4,17-20H2,1-3H3,(H3,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
740n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50365133
PNG
(CHEMBL1952398)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2ccc(cc12)N(CC(O)=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C27H29FN4O4/c1-27(17-35-22-10-5-19(6-11-22)26(29)30)16-31(2)23-13-21(9-12-24(23)36-27)32(15-25(33)34)14-18-3-7-20(28)8-4-18/h3-13H,14-17H2,1-2H3,(H3,29,30)(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
750n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50365128
PNG
(CHEMBL1949835 | CHEMBL2216906)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2ccc(cc12)N(CC(O)=O)Cc1cc(F)cc(F)c1
Show InChI InChI=1S/C27H28F2N4O4/c1-27(16-36-22-6-3-18(4-7-22)26(30)31)15-32(2)23-12-21(5-8-24(23)37-27)33(14-25(34)35)13-17-9-19(28)11-20(29)10-17/h3-12H,13-16H2,1-2H3,(H3,30,31)(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
760n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50365131
PNG
(CHEMBL1949838)
Show SMILES CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H30F2N4O5/c1-4-38-28(37)27(36)35(15-18-11-20(30)13-21(31)12-18)22-7-10-24-25(14-22)40-29(2,16-34(24)3)17-39-23-8-5-19(6-9-23)26(32)33/h5-14H,4,15-17H2,1-3H3,(H3,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
790n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of factor 10a using S-2222 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 259 total )  |  Next  |  Last  >>
Jump to: