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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50235520'   
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))
BDBM50235520
PNG
(CHEMBL540119 | CHEMBL566363 | N-(4-carbamimidoylbe...)
Show SMILES Cc1ccc(C)c(c1)S(=O)(=O)Nn1ccc(C)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C24H27N5O4S/c1-15-4-5-17(3)21(12-15)34(32,33)28-29-11-10-16(2)20(24(29)31)13-22(30)27-14-18-6-8-19(9-7-18)23(25)26/h4-12,28H,13-14H2,1-3H3,(H3,25,26)(H,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 578n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 18: 1972-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.122
BindingDB Entry DOI: 10.7270/Q2833SV0
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50235520
PNG
(CHEMBL540119 | CHEMBL566363 | N-(4-carbamimidoylbe...)
Show SMILES Cc1ccc(C)c(c1)S(=O)(=O)Nn1ccc(C)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C24H27N5O4S/c1-15-4-5-17(3)21(12-15)34(32,33)28-29-11-10-16(2)20(24(29)31)13-22(30)27-14-18-6-8-19(9-7-18)23(25)26/h4-12,28H,13-14H2,1-3H3,(H3,25,26)(H,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 578n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 19: 5429-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ
More data for this
Ligand-Target Pair