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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 = 'BDBM50088944'   
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))
BDBM50088944
PNG
(7-{2-tert-Butyl-6-[1-(1-imino-ethyl)-piperidin-4-y...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2nc(n(Cc3ccc4ccc(cc4c3)C(N)=N)c2c1)C(C)(C)C
Show InChI InChI=1S/C30H36N6O/c1-19(31)35-13-11-24(12-14-35)37-25-9-10-26-27(17-25)36(29(34-26)30(2,3)4)18-20-5-6-21-7-8-22(28(32)33)16-23(21)15-20/h5-10,15-17,24,31H,11-14,18H2,1-4H3,(H3,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
48n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human coagulation factor II


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair