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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 = 'BDBM50069153'   
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))
BDBM50069153
PNG
((1-{[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-...)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CC(=O)OC)nc1Cc1ccccc1
Show InChI InChI=1S/C29H42BN5O5/c1-28(2)20-15-21(28)29(3)22(16-20)39-30(40-29)23(12-8-9-13-31)32-26(36)18-35-25(14-19-10-6-5-7-11-19)33-24(34-35)17-27(37)38-4/h5-7,10-11,20-23H,8-9,12-18,31H2,1-4H3,(H,32,36)/t20-,21-,22+,23-,29-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
85n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition against human thrombin


Bioorg Med Chem Lett 8: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2P84B1P
More data for this
Ligand-Target Pair