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BDBM50150278 CHEMBL3770523

SMILES: [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)Cc2c(Nc3ccccc3)n(Cc3ccc(cc3)C(F)(F)F)nc12

InChI Key: InChIKey=VVLIAXMHAHVQJY-RTWAWAEBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150278   
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))		BDBM50150278
PNG
(CHEMBL3770523)
Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)Cc2c(Nc3ccccc3)n(Cc3ccc(cc3)C(F)(F)F)nc12 |r,c:9|
Show InChI InChI=1S/C25H25F3N6/c1-32-15-19-22(29-18-6-3-2-4-7-18)33(14-16-10-12-17(13-11-16)25(26,27)28)31-23(19)34-21-9-5-8-20(21)30-24(32)34/h2-4,6-7,10-13,20-21,29H,5,8-9,14-15H2,1H3/t20-,21+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 3.70E+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