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BDBM50328104 2,2-Dimethyl-5-morpholin-4-yl-N-(pyridin-4-ylmethyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine::CHEMBL1257537

SMILES: CC1(C)Cc2c(CO1)c(nc1sc3c(NCc4ccncc4)ncnc3c21)N1CCOCC1

InChI Key: InChIKey=FDESCELZSWKTDU-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50328104   
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))
BDBM50328104
PNG
(2,2-Dimethyl-5-morpholin-4-yl-N-(pyridin-4-ylmethy...)
Show SMILES CC1(C)Cc2c(CO1)c(nc1sc3c(NCc4ccncc4)ncnc3c21)N1CCOCC1
Show InChI InChI=1S/C24H26N6O2S/c1-24(2)11-16-17(13-32-24)22(30-7-9-31-10-8-30)29-23-18(16)19-20(33-23)21(28-14-27-19)26-12-15-3-5-25-6-4-15/h3-6,14H,7-13H2,1-2H3,(H,26,27,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4B1 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50328104
PNG
(2,2-Dimethyl-5-morpholin-4-yl-N-(pyridin-4-ylmethy...)
Show SMILES CC1(C)Cc2c(CO1)c(nc1sc3c(NCc4ccncc4)ncnc3c21)N1CCOCC1
Show InChI InChI=1S/C24H26N6O2S/c1-24(2)11-16-17(13-32-24)22(30-7-9-31-10-8-30)29-23-18(16)19-20(33-23)21(28-14-27-19)26-12-15-3-5-25-6-4-15/h3-6,14H,7-13H2,1-2H3,(H,26,27,28)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 128n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4D3 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50328104
PNG
(2,2-Dimethyl-5-morpholin-4-yl-N-(pyridin-4-ylmethy...)
Show SMILES CC1(C)Cc2c(CO1)c(nc1sc3c(NCc4ccncc4)ncnc3c21)N1CCOCC1
Show InChI InChI=1S/C24H26N6O2S/c1-24(2)11-16-17(13-32-24)22(30-7-9-31-10-8-30)29-23-18(16)19-20(33-23)21(28-14-27-19)26-12-15-3-5-25-6-4-15/h3-6,14H,7-13H2,1-2H3,(H,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 97n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4A4 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair