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BDBM50150266 CHEMBL3771159

SMILES: [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(NC)n(Cc3ccc(cc3)-c3cccc(F)n3)nc12

InChI Key: InChIKey=DQFNGRAFDBVDLV-MSOLQXFVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150266   
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))		BDBM50150266
PNG
(CHEMBL3771159)
Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(NC)n(Cc3ccc(cc3)-c3cccc(F)n3)nc12 |r,c:9|
Show InChI InChI=1S/C24H24FN7O/c1-26-21-20-22(32-18-7-3-6-17(18)28-24(32)30(2)23(20)33)29-31(21)13-14-9-11-15(12-10-14)16-5-4-8-19(25)27-16/h4-5,8-12,17-18,26H,3,6-7,13H2,1-2H3/t17-,18+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 4.30E+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