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BDBM50150230 CHEMBL3770557

SMILES: [H][C@@]12CCC[C@]1([H])N1C3NNC(Nc4ccccc4)=C3C(=O)N(C)C1=N2

InChI Key: InChIKey=QZAMDCUPSBOULX-ZVORSSOTSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150230   
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))		BDBM50150230
PNG
(CHEMBL3770557)
Show SMILES [H][C@@]12CCC[C@]1([H])N1C3NNC(Nc4ccccc4)=C3C(=O)N(C)C1=N2 |r,c:20,28|
Show InChI InChI=1S/C17H20N6O/c1-22-16(24)13-14(18-10-6-3-2-4-7-10)20-21-15(13)23-12-9-5-8-11(12)19-17(22)23/h2-4,6-7,11-12,15,18,20-21H,5,8-9H2,1H3/t11-,12+,15?/m1/s1
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PC cid
PC sid
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Similars
PubMed
 9.80E+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