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SMILES: CC(C)c1nc(SCc2ccc(cc2)-c2cccc(c2)-c2nnn[nH]2)c2ccccc2n1

InChI Key: InChIKey=CHOLDTMKPVTJSZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50490849   
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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A/cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))		BDBM50490849
PNG
(CHEMBL2349298)
Show SMILES CC(C)c1nc(SCc2ccc(cc2)-c2cccc(c2)-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H22N6S/c1-16(2)23-26-22-9-4-3-8-21(22)25(27-23)32-15-17-10-12-18(13-11-17)19-6-5-7-20(14-19)24-28-30-31-29-24/h3-14,16H,15H2,1-2H3,(H,28,29,30,31)
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PC cid
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Article
PubMed
n/an/a 890n/an/an/an/an/an/a



Universidad de Alcala

Curated by ChEMBL


Assay Description
Inhibition of PDE7 catalytic domain (unknown origin) using [3H]-cAMP as substrate after 1 hr by scintillation proximity assay

Bioorg Med Chem 21: 2370-2378 (2013)


Article DOI: 10.1016/j.bmc.2013.01.067
BindingDB Entry DOI: 10.7270/Q2QR512X
More data for this
Ligand-Target Pair