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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin and coagulation factor X' and Ligand = 'BDBM50289576'   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50289576
PNG
(Biphenyl-4-carboxylic acid [(R)-4-guanidino-1-((2S...)
Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)[C@H](CCCNC(N)=N)NC(=O)c1ccc(cc1)-c1ccccc1 |THB:8:6:1:4|
Show InChI InChI=1S/C28H37BN4O3/c1-27(2)21-16-22(27)28(3)23(17-21)35-29(36-28)24(10-7-15-32-26(30)31)33-25(34)20-13-11-19(12-14-20)18-8-5-4-6-9-18/h4-6,8-9,11-14,21-24H,7,10,15-17H2,1-3H3,(H,33,34)(H4,30,31,32)/t21?,22?,23-,24+,28+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.940n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 7: 1595-1600 (1997)


Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ
More data for this
Ligand-Target Pair