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BDBM50150131 CHEMBL3770529

SMILES: CN1C2=NC(CN2c2nn(Cc3ccc(cc3)-c3ccccc3)c(Nc3ccccc3)c2C1=O)C1CCOC1

InChI Key: InChIKey=OTIJHPWFKJKYPK-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150131   
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))		BDBM50150131
PNG
(CHEMBL3770529)
Show SMILES CN1C2=NC(CN2c2nn(Cc3ccc(cc3)-c3ccccc3)c(Nc3ccccc3)c2C1=O)C1CCOC1 |t:2|
Show InChI InChI=1S/C31H30N6O2/c1-35-30(38)27-28(32-25-10-6-3-7-11-25)37(18-21-12-14-23(15-13-21)22-8-4-2-5-9-22)34-29(27)36-19-26(33-31(35)36)24-16-17-39-20-24/h2-15,24,26,32H,16-20H2,1H3
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PC cid
PC sid
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Similars
PubMed
 1.20E+4n/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