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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 = 'BDBM50069148'   
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))
BDBM50069148
PNG
(CHEMBL2373347 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...)
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(nc1Cc1ccccc1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C32H41BN6O5/c1-31(2)23-18-25(31)32(3)26(19-23)43-33(44-32)27(14-7-8-15-34)35-29(40)20-38-28(16-21-10-5-4-6-11-21)36-30(37-38)22-12-9-13-24(17-22)39(41)42/h4-6,9-13,17,23,25-27H,7-8,14-16,18-20,34H2,1-3H3,(H,35,40)/t23-,25-,26+,27-,32-/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