BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 450.9
BDBM345819

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM345819
PNG
(US10202362, Compound T2.2)
Show SMILES OC(=O)c1ccc(CN2CCCC(CNc3ccc(Oc4ccc(Cl)cc4)cc3)C2)cc1
Show InChI InChI=1S/C26H27ClN2O3/c27-22-7-11-24(12-8-22)32-25-13-9-23(10-14-25)28-16-20-2-1-15-29(18-20)17-19-3-5-21(6-4-19)26(30)31/h3-14,20,28H,1-2,15-18H2,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/an/an/an/an/an/a



Celtaxsys, Inc.

US Patent


Assay Description
LTB4 formed was quantified with the HTRF assay in which free LTB4 competes with LTB4-XL665 conjugate (acceptor) for anti-LTB4 monoclonal antibody lab...


US Patent US10202362 (2019)


BindingDB Entry DOI: 10.7270/Q2MC9241
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM345819
PNG
(US10202362, Compound T2.2)
Show SMILES OC(=O)c1ccc(CN2CCCC(CNc3ccc(Oc4ccc(Cl)cc4)cc3)C2)cc1
Show InChI InChI=1S/C26H27ClN2O3/c27-22-7-11-24(12-8-22)32-25-13-9-23(10-14-25)28-16-20-2-1-15-29(18-20)17-19-3-5-21(6-4-19)26(30)31/h3-14,20,28H,1-2,15-18H2,(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/a



Celtaxsys, Inc.

US Patent


Assay Description
In brief, the enzyme (29 nM) was incubated with L-alanine-p-nitroanilide (1 mM) in 50 mM HEPES (pH 7.5), 100 mM KCL, 1% DMSO in the absence or presen...


US Patent US10202362 (2019)


BindingDB Entry DOI: 10.7270/Q2MC9241
More data for this
Ligand-Target Pair