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BDBM50328099 2,2-Dimethyl-N-(2-morpholin-4-ylethyl)-5-pyrrolidin-1-yl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine::CHEMBL1258470

SMILES: CC1(C)CCc2c(C1)c1c(nc2N2CCCC2)sc2c(NCCN3CCOCC3)ncnc12

InChI Key: InChIKey=XNIYDLUVCSJKFF-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 = 50328099   
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))
BDBM50328099
PNG
(2,2-Dimethyl-N-(2-morpholin-4-ylethyl)-5-pyrrolidi...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCCC2)sc2c(NCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C25H34N6OS/c1-25(2)6-5-17-18(15-25)19-20-21(33-24(19)29-23(17)31-8-3-4-9-31)22(28-16-27-20)26-7-10-30-11-13-32-14-12-30/h16H,3-15H2,1-2H3,(H,26,27,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.05n/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 4A


(Homo sapiens (Human))
BDBM50328099
PNG
(2,2-Dimethyl-N-(2-morpholin-4-ylethyl)-5-pyrrolidi...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCCC2)sc2c(NCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C25H34N6OS/c1-25(2)6-5-17-18(15-25)19-20-21(33-24(19)29-23(17)31-8-3-4-9-31)22(28-16-27-20)26-7-10-30-11-13-32-14-12-30/h16H,3-15H2,1-2H3,(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 43n/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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50328099
PNG
(2,2-Dimethyl-N-(2-morpholin-4-ylethyl)-5-pyrrolidi...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCCC2)sc2c(NCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C25H34N6OS/c1-25(2)6-5-17-18(15-25)19-20-21(33-24(19)29-23(17)31-8-3-4-9-31)22(28-16-27-20)26-7-10-30-11-13-32-14-12-30/h16H,3-15H2,1-2H3,(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 11n/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