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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin-1' and Ligand = 'BDBM50289583'   
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
Trypsin-1


(Homo sapiens (Human))
BDBM50289583
PNG
((3-{5-[(R)-4-Guanidino-1-((2S,6R)-2,9,9-trimethyl-...)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1ccc(o1)C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:42:40:37:35|
Show InChI InChI=1S/C31H44BN5O6/c1-29(2,3)41-28(39)36-20-10-7-9-18(15-20)21-12-13-22(40-21)26(38)37-25(11-8-14-35-27(33)34)32-42-24-17-19-16-23(30(19,4)5)31(24,6)43-32/h7,9-10,12-13,15,19,23-25H,8,11,14,16-17H2,1-6H3,(H,36,39)(H,37,38)(H4,33,34,35)/t19?,23?,24-,25+,31+/m1/s1
PDB
MMDB

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PC cid
PC sid
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Article
25n/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