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SMILES: CCn1c(NC2CCCC2)nc2c(csc2c1=O)N1CCN(CC1=O)C(=O)OC(C)(C)C

InChI Key: InChIKey=MRXRVJQSSLSKLK-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50032550   
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


(Homo sapiens (Human))
BDBM50032550
PNG
(CHEMBL3354182)
Show SMILES CCn1c(NC2CCCC2)nc2c(csc2c1=O)N1CCN(CC1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H31N5O4S/c1-5-26-19(29)18-17(24-20(26)23-14-8-6-7-9-14)15(13-32-18)27-11-10-25(12-16(27)28)21(30)31-22(2,3)4/h13-14H,5-12H2,1-4H3,(H,23,24)
PDB
MMDB

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Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in insect cells assessed as inhibition of [3H]cAMP to [3H]AMP hydrolysis after 30 mins by scintillation counting


J Med Chem 57: 9844-54 (2014)


Article DOI: 10.1021/jm5008215
BindingDB Entry DOI: 10.7270/Q228096D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50032550
PNG
(CHEMBL3354182)
Show SMILES CCn1c(NC2CCCC2)nc2c(csc2c1=O)N1CCN(CC1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H31N5O4S/c1-5-26-19(29)18-17(24-20(26)23-14-8-6-7-9-14)15(13-32-18)27-11-10-25(12-16(27)28)21(30)31-22(2,3)4/h13-14H,5-12H2,1-4H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 expressed in insect cells assessed as inhibition of [3H]cAMP to [3H]AMP hydrolysis after 30 mins by scintillation counting


J Med Chem 57: 9844-54 (2014)


Article DOI: 10.1021/jm5008215
BindingDB Entry DOI: 10.7270/Q228096D
More data for this
Ligand-Target Pair