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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50289349   
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))
BDBM50289349
PNG
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCNc1ccnc(N)n1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C34H48BN7O5/c1-21(43)39-24(18-22-10-6-5-7-11-22)31(45)42-17-9-12-25(42)30(44)40-28(13-8-15-37-29-14-16-38-32(36)41-29)35-46-27-20-23-19-26(33(23,2)3)34(27,4)47-35/h5-7,10-11,14,16,23-28H,8-9,12-13,15,17-20H2,1-4H3,(H,39,43)(H,40,44)(H3,36,37,38,41)/t23?,24-,25?,26?,27-,28+,34+/m1/s1
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Similars

Article
150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the binding affinity against thrombin


Bioorg Med Chem Lett 7: 79-84 (1997)

Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1
More data for this
Ligand-Target Pair