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SMILES: Br.CN(C1CCCCC1)C(=O)CCCOc1ccc2N=C(N)N(CC(=O)Nc3ccccc3)Cc2c1

InChI Key: InChIKey=YRCIXIVWTRGEHV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50227228   
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/4B/4C/4D


(Homo sapiens (Human))		BDBM50227228
PNG
(CHEMBL422230)
Show SMILES Br.CN(C1CCCCC1)C(=O)CCCOc1ccc2N=C(N)N(CC(=O)Nc3ccccc3)Cc2c1 |t:19|
Show InChI InChI=1S/C27H35N5O3/c1-31(22-11-6-3-7-12-22)26(34)13-8-16-35-23-14-15-24-20(17-23)18-32(27(28)30-24)19-25(33)29-21-9-4-2-5-10-21/h2,4-5,9-10,14-15,17,22H,3,6-8,11-13,16,18-19H2,1H3,(H2,28,30)(H,29,33)
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 100n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against platelet phosphodiesterase (PDE)

J Med Chem 31: 2145-52 (1988)


BindingDB Entry DOI: 10.7270/Q2R49T05
More data for this
Ligand-Target Pair