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BDBM50150133 CHEMBL3771202

SMILES: CN1C2=N[C@H](COCc3ccccc3)CN2c2nn(Cc3ccc(cc3)-c3ccccc3)c(Nc3ccccc3)c2C1=O

InChI Key: InChIKey=HUPIMISAMSZVKV-PMERELPUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150133   
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))		BDBM50150133
PNG
(CHEMBL3771202)
Show SMILES CN1C2=N[C@H](COCc3ccccc3)CN2c2nn(Cc3ccc(cc3)-c3ccccc3)c(Nc3ccccc3)c2C1=O |r,t:2|
Show InChI InChI=1S/C35H32N6O2/c1-39-34(42)31-32(36-29-15-9-4-10-16-29)41(21-25-17-19-28(20-18-25)27-13-7-3-8-14-27)38-33(31)40-22-30(37-35(39)40)24-43-23-26-11-5-2-6-12-26/h2-20,30,36H,21-24H2,1H3/t30-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
>1.00E+5n/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