BindingDB logo
myBDB logout

null

SMILES: [H][C@@]1(CC[C@@H](CC1)NC(=O)c1cncc2ccccc12)[C@H](N)C(=O)N1CCCC1

InChI Key: InChIKey=ZYVUFELPRWRHOR-KNBMTAEXSA-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 2 hits for monomerid = 50137255   
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))
BDBM50137255
PNG
(CHEMBL3084940 | Isoquinoline-4-carboxylic acid [4-...)
Show SMILES [H][C@@]1(CC[C@@H](CC1)NC(=O)c1cncc2ccccc12)[C@H](N)C(=O)N1CCCC1 |wU:4.7,1.0,wD:20.23,(9.96,1.56,;11.3,.8,;9.98,.02,;9.98,-1.53,;11.3,-2.29,;12.63,-1.53,;12.63,.02,;11.3,-3.83,;12.65,-4.61,;13.98,-3.83,;12.65,-6.15,;11.3,-6.91,;11.3,-8.45,;12.63,-9.22,;13.98,-8.43,;15.3,-9.2,;16.63,-8.43,;16.62,-6.88,;15.29,-6.13,;13.97,-6.91,;11.3,2.34,;9.97,3.11,;12.65,3.13,;12.65,4.67,;13.98,2.34,;15.39,2.97,;16.42,1.82,;15.65,.48,;14.15,.81,)|
Show InChI InChI=1S/C22H28N4O2/c23-20(22(28)26-11-3-4-12-26)15-7-9-17(10-8-15)25-21(27)19-14-24-13-16-5-1-2-6-18(16)19/h1-2,5-6,13-15,17,20H,3-4,7-12,23H2,(H,25,27)/t15-,17-,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 64n/an/an/an/an/an/a



Merck & Co. Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl-peptidase IV.


Bioorg Med Chem Lett 14: 43-6 (2003)


BindingDB Entry DOI: 10.7270/Q26972ZM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50137255
PNG
(CHEMBL3084940 | Isoquinoline-4-carboxylic acid [4-...)
Show SMILES [H][C@@]1(CC[C@@H](CC1)NC(=O)c1cncc2ccccc12)[C@H](N)C(=O)N1CCCC1 |wU:4.7,1.0,wD:20.23,(9.96,1.56,;11.3,.8,;9.98,.02,;9.98,-1.53,;11.3,-2.29,;12.63,-1.53,;12.63,.02,;11.3,-3.83,;12.65,-4.61,;13.98,-3.83,;12.65,-6.15,;11.3,-6.91,;11.3,-8.45,;12.63,-9.22,;13.98,-8.43,;15.3,-9.2,;16.63,-8.43,;16.62,-6.88,;15.29,-6.13,;13.97,-6.91,;11.3,2.34,;9.97,3.11,;12.65,3.13,;12.65,4.67,;13.98,2.34,;15.39,2.97,;16.42,1.82,;15.65,.48,;14.15,.81,)|
Show InChI InChI=1S/C22H28N4O2/c23-20(22(28)26-11-3-4-12-26)15-7-9-17(10-8-15)25-21(27)19-14-24-13-16-5-1-2-6-18(16)19/h1-2,5-6,13-15,17,20H,3-4,7-12,23H2,(H,25,27)/t15-,17-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Merck & Co. Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against quiescent cell prolyl peptidase (QPP).


Bioorg Med Chem Lett 14: 43-6 (2003)


BindingDB Entry DOI: 10.7270/Q26972ZM
More data for this
Ligand-Target Pair