BindingDB logo
myBDB logout

null

SMILES: CN1C(=O)Cc2ccc(cc12)-c1csc(CC(NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c1F

InChI Key: InChIKey=XFADBMAHLDAHBC-AUNCGFEGSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 138127   
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))		BDBM138127
PNG
(US8871783, 13)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1csc(CC(NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c1F |r|
Show InChI InChI=1S/C23H23FN4O2S/c1-28-18-7-12(2-3-13(18)8-20(28)29)17-11-31-19(21(17)24)9-16(10-25)27-23(30)22-14-4-5-15(6-14)26-22/h2-3,7,11,14-16,22,26H,4-6,8-9H2,1H3,(H,27,30)/t14-,15+,16?,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 61.7 -9.83n/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