BindingDB logo
myBDB logout

BDBM50049415 CHEMBL3315267

SMILES: Clc1cccc(c1)C1=NC(NC2CCC(=O)NC2)=NC(N1)C1CC1

InChI Key: InChIKey=ZCFYVQURNAPQPT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50049415   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50049415
PNG
(CHEMBL3315267)
Show SMILES Clc1cccc(c1)C1=NC(NC2CCC(=O)NC2)=NC(N1)C1CC1 |c:19,t:8|
Show InChI InChI=1S/C17H20ClN5O/c18-12-3-1-2-11(8-12)16-21-15(10-4-5-10)22-17(23-16)20-13-6-7-14(24)19-9-13/h1-3,8,10,13,15H,4-7,9H2,(H,19,24)(H2,20,21,22,23)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 268n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049415
PNG
(CHEMBL3315267)
Show SMILES Clc1cccc(c1)C1=NC(NC2CCC(=O)NC2)=NC(N1)C1CC1 |c:19,t:8|
Show InChI InChI=1S/C17H20ClN5O/c18-12-3-1-2-11(8-12)16-21-15(10-4-5-10)22-17(23-16)20-13-6-7-14(24)19-9-13/h1-3,8,10,13,15H,4-7,9H2,(H,19,24)(H2,20,21,22,23)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 135n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair