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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 = 'BDBM50069165'   
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))
BDBM50069165
PNG
(CHEMBL2373346 | N-(1-{[(R)-5-Amino-1-((1S,2S,6R,8S...)
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(CNC(=O)C(C)C)nc1Cc1ccccc1
Show InChI InChI=1S/C31H47BN6O4/c1-20(2)29(40)34-18-26-36-27(15-21-11-7-6-8-12-21)38(37-26)19-28(39)35-25(13-9-10-14-33)32-41-24-17-22-16-23(30(22,3)4)31(24,5)42-32/h6-8,11-12,20,22-25H,9-10,13-19,33H2,1-5H3,(H,34,40)(H,35,39)/t22-,23-,24+,25-,31-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
160n/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