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SMILES: COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccsc1

InChI Key: InChIKey=MTUOJXDLEBNUMG-NRFANRHFSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113372   
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))		BDBM50113372
PNG
(4-[(S)-2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-thi...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccsc1
Show InChI InChI=1S/C23H25NO2S/c1-25-22-7-6-18(15-23(22)26-20-4-2-3-5-20)21(19-10-13-27-16-19)14-17-8-11-24-12-9-17/h6-13,15-16,20-21H,2-5,14H2,1H3/t21-/m0/s1
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MMDB

KEGG

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PC cid
PC sid
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PubMed
n/an/a 3n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A

Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair