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BDBM50385907 CHEMBL2041602

SMILES: COc1cc(COC(=O)c2ccc(o2)-c2ccc(Cl)cc2[N+]([O-])=O)cc(OC)c1OC

InChI Key: InChIKey=APSJFDMJHQKYEI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50385907   
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
Phosphodiesterase 7


(Homo sapiens (Human))		BDBM50385907
PNG
(CHEMBL2041602)
Show SMILES COc1cc(COC(=O)c2ccc(o2)-c2ccc(Cl)cc2[N+]([O-])=O)cc(OC)c1OC
Show InChI InChI=1S/C21H18ClNO8/c1-27-18-8-12(9-19(28-2)20(18)29-3)11-30-21(24)17-7-6-16(31-17)14-5-4-13(22)10-15(14)23(25)26/h4-10H,11H2,1-3H3
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 7.31E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1-mediated [3H]cAMP hydrolysis after 20 mins by scintillation proximity assay

J Med Chem 55: 3274-84 (2012)


Article DOI: 10.1021/jm201720d
BindingDB Entry DOI: 10.7270/Q2ZS2XJB
More data for this
Ligand-Target Pair