BindingDB logo
myBDB logout

null

SMILES: Fc1cc(ccc1C#N)-c1ccc2oc(CC(NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)C#N)cc2c1

InChI Key: InChIKey=NPAACGXBNISYFE-BCRPEVRGSA-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 = 138121   
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))		BDBM138121
PNG
(US8871783, 7)
Show SMILES Fc1cc(ccc1C#N)-c1ccc2oc(CC(NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)C#N)cc2c1 |r|
Show InChI InChI=1S/C25H21FN4O2/c26-22-10-15(1-2-17(22)12-27)14-4-6-23-18(7-14)9-21(32-23)11-20(13-28)30-25(31)24-16-3-5-19(8-16)29-24/h1-2,4,6-7,9-10,16,19-20,24,29H,3,5,8,11H2,(H,30,31)/t16-,19+,20?,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 39.3 -10.1n/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