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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50215571'   
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))
BDBM50215571
PNG
(Nazumamide A)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-c1cc(-[#8])ccc1-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6])-[#6](-[#8])=O
Show InChI InChI=1S/C28H43N7O8/c1-4-15(3)22(25(40)32-18(5-2)27(42)43)34-24(39)20-9-7-13-35(20)26(41)19(8-6-12-31-28(29)30)33-23(38)17-14-16(36)10-11-21(17)37/h10-11,14-15,18-20,22,36-37H,4-9,12-13H2,1-3H3,(H,32,40)(H,33,38)(H,34,39)(H,42,43)(H4,29,30,31)/t15-,18-,19-,20-,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.30E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215571
PNG
(Nazumamide A)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-c1cc(-[#8])ccc1-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6])-[#6](-[#8])=O
Show InChI InChI=1S/C28H43N7O8/c1-4-15(3)22(25(40)32-18(5-2)27(42)43)34-24(39)20-9-7-13-35(20)26(41)19(8-6-12-31-28(29)30)33-23(38)17-14-16(36)10-11-21(17)37/h10-11,14-15,18-20,22,36-37H,4-9,12-13H2,1-3H3,(H,32,40)(H,33,38)(H,34,39)(H,42,43)(H4,29,30,31)/t15-,18-,19-,20-,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.20E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215571
PNG
(Nazumamide A)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-c1cc(-[#8])ccc1-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6])-[#6](-[#8])=O
Show InChI InChI=1S/C28H43N7O8/c1-4-15(3)22(25(40)32-18(5-2)27(42)43)34-24(39)20-9-7-13-35(20)26(41)19(8-6-12-31-28(29)30)33-23(38)17-14-16(36)10-11-21(17)37/h10-11,14-15,18-20,22,36-37H,4-9,12-13H2,1-3H3,(H,32,40)(H,33,38)(H,34,39)(H,42,43)(H4,29,30,31)/t15-,18-,19-,20-,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.20E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair