BindingDB logo
myBDB logout

BDBM50150130 CHEMBL3771199

SMILES: CN1C2=N[C@H](CO)CN2c2nn(Cc3ccc(cc3)-c3ccccc3)c(Nc3ccccc3)c2C1=O

InChI Key: InChIKey=BIFVFYNVUIMYOI-QWVACARCNA-N

Data: 1 KI

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 = 50150130   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50150130
PNG
(CHEMBL3771199)
Show SMILES CN1C2=N[C@H](CO)CN2c2nn(Cc3ccc(cc3)-c3ccccc3)c(Nc3ccccc3)c2C1=O
Show InChI InChI=1/C28H26N6O2/c1-32-27(36)24-25(29-22-10-6-3-7-11-22)34(31-26(24)33-17-23(18-35)30-28(32)33)16-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2-15,23,29,35H,16-18H2,1H3/t23-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.10E+3n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE4A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


J Med Chem 59: 1149-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01751
BindingDB Entry DOI: 10.7270/Q2X068W7
More data for this
Ligand-Target Pair