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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50292201   
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
Prothrombin


(Homo sapiens (Human))
BDBM50292201
PNG
(CHEMBL372367 | N-(5-Chloro-2-tetrazol-1-yl-benzyl)...)
Show SMILES ON1C(CC(=O)NCc2cc(Cl)ccc2-n2cnnn2)=CCCC1=NCC(F)(F)c1ccccn1 |w:24.27,c:21|
Show InChI InChI=1S/C22H21ClF2N8O2/c23-16-7-8-18(32-14-29-30-31-32)15(10-16)12-27-21(34)11-17-4-3-6-20(33(17)35)28-13-22(24,25)19-5-1-2-9-26-19/h1-2,4-5,7-10,14,35H,3,6,11-13H2,(H,27,34)
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PC sid
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Similars

Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair