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SMILES: O=C(N[C@@H](Cc1ccc(s1)-c1cnn(CC2CCOCC2)c1)C#N)[C@H]1N[C@@H]2CC[C@H]1C2

InChI Key: InChIKey=DEHMWSJVEVFYAC-ZBPHCFQXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 138132   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM138132
PNG
(US8871783, 18)
Show SMILES O=C(N[C@@H](Cc1ccc(s1)-c1cnn(CC2CCOCC2)c1)C#N)[C@H]1N[C@@H]2CC[C@H]1C2 |r|
Show InChI InChI=1S/C23H29N5O2S/c24-11-19(27-23(29)22-16-1-2-18(9-16)26-22)10-20-3-4-21(31-20)17-12-25-28(14-17)13-15-5-7-30-8-6-15/h3-4,12,14-16,18-19,22,26H,1-2,5-10,13H2,(H,27,29)/t16-,18+,19-,22-/m0/s1
PDB

KEGG

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PC cid
PC sid
UniChem

Similars
US Patent
 27 -10.3n/an/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 NaH2PO4,...

US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair