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BDBM50150260 CHEMBL3771311

SMILES: [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(cc3)C3CCCN3C)nc12

InChI Key: InChIKey=WOPLKWAXRNVSIH-BGTNVORWSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150260   
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))		BDBM50150260
PNG
(CHEMBL3771311)
Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(cc3)C3CCCN3C)nc12 |r,c:9|
Show InChI InChI=1S/C29H33N7O/c1-33-17-7-12-23(33)20-15-13-19(14-16-20)18-35-26(30-21-8-4-3-5-9-21)25-27(32-35)36-24-11-6-10-22(24)31-29(36)34(2)28(25)37/h3-5,8-9,13-16,22-24,30H,6-7,10-12,17-18H2,1-2H3/t22-,23?,24+/m1/s1
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PubMed
 3.10E+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