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BDBM103916 US8562945, 252

SMILES: OB(O)C1CCCN1C(=O)CNC(=O)CCCCC[N@@]12CC(=O)O[Re]1[N]1=C(C2)C=CC=C1

InChI Key: InChIKey=RVBJSWMRVALLFN-UHFFFAOYSA-M

Data: 2 IC50

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 2 hits for monomerid = 103916   
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 4


(Homo sapiens (Human))
BDBM103916
PNG
(US8562945, 252)
Show SMILES OB(O)C1CCCN1C(=O)CNC(=O)CCCCC[N@@]12CC(=O)O[Re]1[N]1=C(C2)C=CC=C1 |r,c:27,31,33|
Show InChI InChI=1S/C20H31BN4O6.Re/c26-18(23-13-19(27)25-12-6-8-17(25)21(30)31)9-2-1-5-11-24(15-20(28)29)14-16-7-3-4-10-22-16;/h3-4,7,10,17,30-31H,1-2,5-6,8-9,11-15H2,(H,23,26)(H,28,29);/q;+1/p-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.96E+4n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were tested for their ability to inhibit DPPIV enzyme.


US Patent US8562945 (2013)


BindingDB Entry DOI: 10.7270/Q2XP73KD
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM103916
PNG
(US8562945, 252)
Show SMILES OB(O)C1CCCN1C(=O)CNC(=O)CCCCC[N@@]12CC(=O)O[Re]1[N]1=C(C2)C=CC=C1 |r,c:27,31,33|
Show InChI InChI=1S/C20H31BN4O6.Re/c26-18(23-13-19(27)25-12-6-8-17(25)21(30)31)9-2-1-5-11-24(15-20(28)29)14-16-7-3-4-10-22-16;/h3-4,7,10,17,30-31H,1-2,5-6,8-9,11-15H2,(H,23,26)(H,28,29);/q;+1/p-1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.53E+3n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were tested for their ability to inhibit separase enzyme.


US Patent US8562945 (2013)


BindingDB Entry DOI: 10.7270/Q2XP73KD
More data for this
Ligand-Target Pair