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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 1' and Ligand = 'BDBM138508'   
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
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM138508
PNG
(US8877775, 19 | US9073869, 19)
Show SMILES CN1C(=O)Cc2cc(ccc12)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)cc1 |r,wU:20.21,wD:16.18,(8.68,-3.76,;7.14,-3.76,;6.51,-5.17,;7.28,-6.51,;4.98,-5.01,;4.66,-3.5,;3.33,-2.73,;3.33,-1.19,;4.66,-.42,;5.99,-1.19,;5.99,-2.73,;1.99,-.42,;.66,-1.19,;-.68,-.42,;-.68,1.12,;-2.01,1.89,;-2.01,3.43,;-3.34,4.2,;-4.68,3.43,;-4.68,1.89,;-6.01,4.2,;-7.34,3.43,;-8.68,4.2,;-8.68,5.74,;-7.34,6.51,;-6.01,5.74,;-6.78,4.4,;-7.91,5.53,;-.68,4.2,;.66,4.97,;.66,1.89,;1.99,1.12,)|
Show InChI InChI=1S/C26H28N4O2/c1-30-23-11-8-19(13-20(23)14-24(30)31)17-4-2-16(3-5-17)12-22(15-27)29-26(32)25-18-6-9-21(28-25)10-7-18/h2-5,8,11,13,18,21-22,25,28H,6-7,9-10,12,14H2,1H3,(H,29,32)/t18?,21?,22-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 134n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...


US Patent US9073869 (2015)


BindingDB Entry DOI: 10.7270/Q2J9654T
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM138508
PNG
(US8877775, 19 | US9073869, 19)
Show SMILES CN1C(=O)Cc2cc(ccc12)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)cc1 |r,wU:20.21,wD:16.18,(8.68,-3.76,;7.14,-3.76,;6.51,-5.17,;7.28,-6.51,;4.98,-5.01,;4.66,-3.5,;3.33,-2.73,;3.33,-1.19,;4.66,-.42,;5.99,-1.19,;5.99,-2.73,;1.99,-.42,;.66,-1.19,;-.68,-.42,;-.68,1.12,;-2.01,1.89,;-2.01,3.43,;-3.34,4.2,;-4.68,3.43,;-4.68,1.89,;-6.01,4.2,;-7.34,3.43,;-8.68,4.2,;-8.68,5.74,;-7.34,6.51,;-6.01,5.74,;-6.78,4.4,;-7.91,5.53,;-.68,4.2,;.66,4.97,;.66,1.89,;1.99,1.12,)|
Show InChI InChI=1S/C26H28N4O2/c1-30-23-11-8-19(13-20(23)14-24(30)31)17-4-2-16(3-5-17)12-22(15-27)29-26(32)25-18-6-9-21(28-25)10-7-18/h2-5,8,11,13,18,21-22,25,28H,6-7,9-10,12,14H2,1H3,(H,29,32)/t18?,21?,22-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 134n/an/an/an/a6.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2P04,...


US Patent US8877775 (2014)


BindingDB Entry DOI: 10.7270/Q20R9N3T
More data for this
Ligand-Target Pair