BindingDB logo
myBDB logout

PubMed code 10091697

Compile data set for download or QSAR
Found 6 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))
BDBM50075121
PNG
(5-[(3aS,8aS)-5-(4-Hydroxy-phenyl)-2-oxo-3,3a,8,8a-...)
Show SMILES NC(=N)CCCCC1[C@@H]2[C@H](Cc3ccc(cc23)-c2ccc(O)cc2)OC1=O
Show InChI InChI=1S/C22H24N2O3/c23-20(24)4-2-1-3-17-21-18-11-14(13-7-9-16(25)10-8-13)5-6-15(18)12-19(21)27-22(17)26/h5-11,17,19,21,25H,1-4,12H2,(H3,23,24)/t17?,19-,21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human thrombin was determined


Bioorg Med Chem Lett 9: 431-6 (1999)


BindingDB Entry DOI: 10.7270/Q26T0KS3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50075122
PNG
(5-((3aS,8aS)-2-Oxo-3,3a,8,8a-tetrahydro-2H-indeno[...)
Show SMILES NC(=N)CCCCC1[C@@H]2[C@H](Cc3ccccc23)OC1=O
Show InChI InChI=1S/C16H20N2O2/c17-14(18)8-4-3-7-12-15-11-6-2-1-5-10(11)9-13(15)20-16(12)19/h1-2,5-6,12-13,15H,3-4,7-9H2,(H3,17,18)/t12?,13-,15+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 77n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human thrombin was determined


Bioorg Med Chem Lett 9: 431-6 (1999)


BindingDB Entry DOI: 10.7270/Q26T0KS3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50072293
PNG
(5-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...)
Show SMILES NC(=N)CCCC[C@@H]1[C@H]2CCC[C@@H]2OC1=O
Show InChI InChI=1S/C12H20N2O2/c13-11(14)7-2-1-4-9-8-5-3-6-10(8)16-12(9)15/h8-10H,1-7H2,(H3,13,14)/t8-,9-,10+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 130n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human thrombin was determined


Bioorg Med Chem Lett 9: 431-6 (1999)


BindingDB Entry DOI: 10.7270/Q26T0KS3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50075123
PNG
(4-((3R,3aS,8aS)-2-Oxo-3,3a,8,8a-tetrahydro-2H-inde...)
Show SMILES NC(=N)CCC[C@@H]1[C@@H]2[C@H](Cc3ccccc23)OC1=O
Show InChI InChI=1S/C15H18N2O2/c16-13(17)7-3-6-11-14-10-5-2-1-4-9(10)8-12(14)19-15(11)18/h1-2,4-5,11-12,14H,3,6-8H2,(H3,16,17)/t11-,12+,14-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 600n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human thrombin was determined


Bioorg Med Chem Lett 9: 431-6 (1999)


BindingDB Entry DOI: 10.7270/Q26T0KS3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50075120
PNG
(5-[(3R,3aS,8aS)-5-(4-Hydroxy-phenyl)-2-oxo-3,3a,8,...)
Show SMILES CNC(=N)CCCC[C@@H]1[C@@H]2[C@H](Cc3ccc(cc23)-c2ccc(O)cc2)OC1=O
Show InChI InChI=1S/C23H26N2O3/c1-25-21(24)5-3-2-4-18-22-19-12-15(14-8-10-17(26)11-9-14)6-7-16(19)13-20(22)28-23(18)27/h6-12,18,20,22,26H,2-5,13H2,1H3,(H2,24,25)/t18-,20+,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human thrombin was determined


Bioorg Med Chem Lett 9: 431-6 (1999)


BindingDB Entry DOI: 10.7270/Q26T0KS3
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50075119
PNG
(5-[(3aR,8aS)-6-(3-Methoxy-phenyl)-3-methyl-2-oxo-3...)
Show SMILES COc1cccc(c1)-c1ccc2[C@H]3[C@H](Cc2c1)OC(=O)C3(C)CCCCC(N)=N
Show InChI InChI=1S/C24H28N2O3/c1-24(11-4-3-8-21(25)26)22-19-10-9-16(15-6-5-7-18(13-15)28-2)12-17(19)14-20(22)29-23(24)27/h5-7,9-10,12-13,20,22H,3-4,8,11,14H2,1-2H3,(H3,25,26)/t20-,22-,24?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human thrombin was determined


Bioorg Med Chem Lett 9: 431-6 (1999)


BindingDB Entry DOI: 10.7270/Q26T0KS3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%