BindingDB logo
myBDB logout

BDBM50150273 CHEMBL3769474

SMILES: [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c1nn(Cc1ccc(cc1)-c1cccc(F)n1)c2NC1CCCCC1

InChI Key: InChIKey=JFNPYCMXTZAUPP-PKTZIBPZSA-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 = 50150273   
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))		BDBM50150273
PNG
(CHEMBL3769474)
Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c1nn(Cc1ccc(cc1)-c1cccc(F)n1)c2NC1CCCCC1 |r,c:9|
Show InChI InChI=1S/C29H32FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h6,9,12-16,20,22-23,31H,2-5,7-8,10-11,17H2,1H3/t22-,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 1.60E+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