BindingDB logo
myBDB logout

BDBM50150267 CHEMBL3771357

SMILES: [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c1nn(Cc1ccc(cc1)-c1cccc(F)n1)c2N(C)C

InChI Key: InChIKey=ZNIQWHVCKCNVBG-MOPGFXCFSA-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 = 50150267   
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))		BDBM50150267
PNG
(CHEMBL3771357)
Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c1nn(Cc1ccc(cc1)-c1cccc(F)n1)c2N(C)C |r,c:9|
Show InChI InChI=1S/C25H26FN7O/c1-30(2)23-21-22(33-19-8-4-7-18(19)28-25(33)31(3)24(21)34)29-32(23)14-15-10-12-16(13-11-15)17-6-5-9-20(26)27-17/h5-6,9-13,18-19H,4,7-8,14H2,1-3H3/t18-,19+/m1/s1
PDB
MMDB

KEGG

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

Patents

Similars
PubMed
 1.10E+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