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BDBM50363914 CHEMBL1946938

SMILES: CCc1cc2c(ccc(OC)n2c1)C1=NNC(=O)CC1C

InChI Key: InChIKey=KZEQZANCHVGFLX-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50363914   
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
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50363914
PNG
(CHEMBL1946938)
Show SMILES CCc1cc2c(ccc(OC)n2c1)C1=NNC(=O)CC1C |t:15|
Show InChI InChI=1S/C16H19N3O2/c1-4-11-8-13-12(5-6-15(21-3)19(13)9-11)16-10(2)7-14(20)17-18-16/h5-6,8-10H,4,7H2,1-3H3,(H,17,20)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.49E+3n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM50363914
PNG
(CHEMBL1946938)
Show SMILES CCc1cc2c(ccc(OC)n2c1)C1=NNC(=O)CC1C |t:15|
Show InChI InChI=1S/C16H19N3O2/c1-4-11-8-13-12(5-6-15(21-3)19(13)9-11)16-10(2)7-14(20)17-18-16/h5-6,8-10H,4,7H2,1-3H3,(H,17,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.07E+4n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain


Bioorg Med Chem 20: 1644-58 (2012)


Article DOI: 10.1016/j.bmc.2012.01.033
BindingDB Entry DOI: 10.7270/Q2DB829P
More data for this
Ligand-Target Pair