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SMILES: Brc1ccc2oc(CC(NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)C#N)cc2c1

InChI Key: InChIKey=XELBXEASMLFXQL-MPFQSFCLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 138120   
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))		BDBM138120
PNG
(US8871783, 6)
Show SMILES Brc1ccc2oc(CC(NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)C#N)cc2c1 |r|
Show InChI InChI=1S/C18H18BrN3O2/c19-12-2-4-16-11(5-12)7-15(24-16)8-14(9-20)22-18(23)17-10-1-3-13(6-10)21-17/h2,4-5,7,10,13-14,17,21H,1,3,6,8H2,(H,22,23)/t10-,13+,14?,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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Similars
US Patent
 64.1 -9.81n/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