BindingDB logo
myBDB logout

BDBM50150128 CHEMBL3769662

SMILES: C[C@@H]1CN2C(=N1)N(C)C(=O)c1c2nn(Cc2ccc(cc2)-c2ccccc2)c1Nc1ccccc1

InChI Key: InChIKey=RDTIPFRJCLQNJL-LJQANCHMSA-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 = 50150128   
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))		BDBM50150128
PNG
(CHEMBL3769662)
Show SMILES C[C@@H]1CN2C(=N1)N(C)C(=O)c1c2nn(Cc2ccc(cc2)-c2ccccc2)c1Nc1ccccc1 |r,c:4|
Show InChI InChI=1S/C28H26N6O/c1-19-17-33-26-24(27(35)32(2)28(33)29-19)25(30-23-11-7-4-8-12-23)34(31-26)18-20-13-15-22(16-14-20)21-9-5-3-6-10-21/h3-16,19,30H,17-18H2,1-2H3/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 3.40E+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)


BindingDB Entry DOI: 10.7270/Q2X068W7
More data for this
Ligand-Target Pair