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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50289595'   
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
Serine protease 1


(Homo sapiens (Human))
BDBM50289595
PNG
(2-Amino-biphenyl-4-carboxylic acid [(R)-4-guanidin...)
Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)[C@H](CCCNC(N)=N)NC(=O)c1ccc(c(N)c1)-c1ccccc1 |THB:8:6:1:4|
Show InChI InChI=1S/C28H38BN5O3/c1-27(2)19-15-22(27)28(3)23(16-19)36-29(37-28)24(10-7-13-33-26(31)32)34-25(35)18-11-12-20(21(30)14-18)17-8-5-4-6-9-17/h4-6,8-9,11-12,14,19,22-24H,7,10,13,15-16,30H2,1-3H3,(H,34,35)(H4,31,32,33)/t19?,22?,23-,24+,28+/m1/s1
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Similars

Article
4.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 7: 1595-1600 (1997)


Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ
More data for this
Ligand-Target Pair