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BDBM50134431 CHEMBL3747181

SMILES: CC(C)c1c(nn2c(Nc3cc(Cl)cc(Cl)c3)c(cnc12)C(N)=O)S(C)(=O)=O

InChI Key: InChIKey=WGGRXSZLNZHDJO-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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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 = 50134431   
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 4


(Homo sapiens (Human))
BDBM50134431
PNG
(CHEMBL3747181)
Show SMILES CC(C)c1c(nn2c(Nc3cc(Cl)cc(Cl)c3)c(cnc12)C(N)=O)S(C)(=O)=O
Show InChI InChI=1S/C17H17Cl2N5O3S/c1-8(2)13-16-21-7-12(14(20)25)15(24(16)23-17(13)28(3,26)27)22-11-5-9(18)4-10(19)6-11/h4-8,22H,1-3H3,(H2,20,25)
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Similars

Article
PubMed
n/an/a 507n/an/an/an/an/an/a



Sanofi Research Center

Curated by ChEMBL


Assay Description
Inhibition of PDE4 in human SHSY-5Y cells assessed as suppression of cAMP hydrolysis by HTRF assay in presence of dye d2 labelled cAMP


Bioorg Med Chem Lett 26: 454-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.093
BindingDB Entry DOI: 10.7270/Q2X92D4M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50134431
PNG
(CHEMBL3747181)
Show SMILES CC(C)c1c(nn2c(Nc3cc(Cl)cc(Cl)c3)c(cnc12)C(N)=O)S(C)(=O)=O
Show InChI InChI=1S/C17H17Cl2N5O3S/c1-8(2)13-16-21-7-12(14(20)25)15(24(16)23-17(13)28(3,26)27)22-11-5-9(18)4-10(19)6-11/h4-8,22H,1-3H3,(H2,20,25)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Sanofi Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 expressed in insect Sf9 cells by fluorescence capillary-electrophoresis assay


Bioorg Med Chem Lett 26: 454-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.093
BindingDB Entry DOI: 10.7270/Q2X92D4M
More data for this
Ligand-Target Pair