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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50228756'   
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))
BDBM50228756
PNG
(((R)-4-{[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-b...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6@H]-1-[#7](-[#6]-[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c2nccs2)-[#6]-1=O)S(=O)(=O)[#6]-c1ccccc1
Show InChI InChI=1S/C25H33N7O7S2/c1-39-21(34)14-19-24(36)31(11-12-32(19)41(37,38)16-17-6-3-2-4-7-17)15-20(33)30-18(8-5-9-29-25(26)27)22(35)23-28-10-13-40-23/h2-4,6-7,10,13,18-19H,5,8-9,11-12,14-16H2,1H3,(H,30,33)(H4,26,27,29)/t18-,19+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin


Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50228756
PNG
(((R)-4-{[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-b...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6@H]-1-[#7](-[#6]-[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c2nccs2)-[#6]-1=O)S(=O)(=O)[#6]-c1ccccc1
Show InChI InChI=1S/C25H33N7O7S2/c1-39-21(34)14-19-24(36)31(11-12-32(19)41(37,38)16-17-6-3-2-4-7-17)15-20(33)30-18(8-5-9-29-25(26)27)22(35)23-28-10-13-40-23/h2-4,6-7,10,13,18-19H,5,8-9,11-12,14-16H2,1H3,(H,30,33)(H4,26,27,29)/t18-,19+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against serine protease thrombin


Bioorg Med Chem Lett 13: 729-32 (2003)


BindingDB Entry DOI: 10.7270/Q2T72GTS
More data for this
Ligand-Target Pair