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SMILES: CCn1cc(cn1)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)s1

InChI Key: InChIKey=HRIIAEYXVPQUHS-OGIUKLMXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 138130   
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))		BDBM138130
PNG
(US8871783, 16)
Show SMILES CCn1cc(cn1)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)s1 |r|
Show InChI InChI=1S/C19H23N5OS/c1-2-24-11-13(10-21-24)17-6-5-16(26-17)8-15(9-20)23-19(25)18-12-3-4-14(7-12)22-18/h5-6,10-12,14-15,18,22H,2-4,7-8H2,1H3,(H,23,25)/t12-,14+,15-,18-/m0/s1
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UniChem

Similars
US Patent
 17.1 -10.6n/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