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BDBM50150279 CHEMBL3770114

SMILES: [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=N)c2c(Nc3ccccc3)n(Cc3ccc(cc3)C(F)(F)F)nc12

InChI Key: InChIKey=PKHSNGRHNBTWRQ-MOPGFXCFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150279   
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))		BDBM50150279
PNG
(CHEMBL3770114)
Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=N)c2c(Nc3ccccc3)n(Cc3ccc(cc3)C(F)(F)F)nc12 |r,c:9|
Show InChI InChI=1S/C25H24F3N7/c1-33-21(29)20-22(30-17-6-3-2-4-7-17)34(14-15-10-12-16(13-11-15)25(26,27)28)32-23(20)35-19-9-5-8-18(19)31-24(33)35/h2-4,6-7,10-13,18-19,29-30H,5,8-9,14H2,1H3/t18-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 1.80E+4n/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