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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin-1' and Ligand = 'BDBM50069173'   
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))
BDBM50069173
PNG
(CHEMBL2373403 | 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(CC#N)nc1Cc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H38BN7O5/c1-27(2)19-15-21(27)28(3)22(16-19)40-29(41-28)23(9-4-5-11-30)32-26(37)17-35-25(33-24(34-35)10-12-31)14-18-7-6-8-20(13-18)36(38)39/h6-8,13,19,21-23H,4-5,9-11,14-17,30H2,1-3H3,(H,32,37)/t19-,21-,22+,23-,28-/m0/s1
PDB
MMDB

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PC cid
PC sid
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23n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 8: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2P84B1P
More data for this
Ligand-Target Pair