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BDBM142096 US8933056, NVP-LAF237 analogue

SMILES: OB(O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2

InChI Key: InChIKey=NFCUDZZBVHLQSU-JFQZXIRVSA-N

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 = 142096   
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))
BDBM142096
PNG
(US8933056, NVP-LAF237 analogue)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2 |r,TLB:22:12:20:16.15.17,11:12:20.14.15:17,THB:22:16:20:12.13.21,13:12:20.14.15:17,13:14:12.22.21:17|
Show InChI InChI=1S/C16H27BN2O4/c20-14(19-3-1-2-13(19)17(22)23)9-18-15-5-11-4-12(6-15)8-16(21,7-11)10-15/h11-13,18,21-23H,1-10H2/t11?,12?,13-,15?,16?/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 72n/an/an/an/a8.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142096
PNG
(US8933056, NVP-LAF237 analogue)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2 |r,TLB:22:12:20:16.15.17,11:12:20.14.15:17,THB:22:16:20:12.13.21,13:12:20.14.15:17,13:14:12.22.21:17|
Show InChI InChI=1S/C16H27BN2O4/c20-14(19-3-1-2-13(19)17(22)23)9-18-15-5-11-4-12(6-15)8-16(21,7-11)10-15/h11-13,18,21-23H,1-10H2/t11?,12?,13-,15?,16?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 42n/an/an/an/a2.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair