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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50110745'   
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


(Bos taurus (bovine))
BDBM50110745
PNG
(3-(6-Carbamimidoyl-naphthalen-2-yl)-2-{4-[1-(1-imi...)
Show SMILES CC(=N)N1CCC(C1)Oc1ccc(cc1)[C@@H](Cc1ccc2cc(ccc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-18(7-9-22)24(26(31)32)13-17-2-3-20-14-21(25(28)29)5-4-19(20)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23?,24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
630n/an/an/an/an/an/an/an/a



Protherics Molecular Design

Curated by ChEMBL


Assay Description
Inhibitory concentration against bovine trypsin


J Med Chem 45: 1221-32 (2002)


BindingDB Entry DOI: 10.7270/Q2319V5W
More data for this
Ligand-Target Pair