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BDBM50347338 CHEMBL1801071

SMILES: CC(C)(CC(O)=O)c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12

InChI Key: InChIKey=DLEKOQWTRJCXHT-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 = 50347338   
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 4A


(Homo sapiens (Human))
BDBM50347338
PNG
(CHEMBL1801071)
Show SMILES CC(C)(CC(O)=O)c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C29H27N3O4/c1-29(2,16-25(33)34)20-10-8-18(9-11-20)19-5-3-6-22(15-19)32-17-24(28(36)31-21-12-13-21)26(35)23-7-4-14-30-27(23)32/h3-11,14-15,17,21H,12-13,16H2,1-2H3,(H,31,36)(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.850n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50347338
PNG
(CHEMBL1801071)
Show SMILES CC(C)(CC(O)=O)c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C29H27N3O4/c1-29(2,16-25(33)34)20-10-8-18(9-11-20)19-5-3-6-22(15-19)32-17-24(28(36)31-21-12-13-21)26(35)23-7-4-14-30-27(23)32/h3-11,14-15,17,21H,12-13,16H2,1-2H3,(H,31,36)(H,33,34)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.850n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50347338
PNG
(CHEMBL1801071)
Show SMILES CC(C)(CC(O)=O)c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C29H27N3O4/c1-29(2,16-25(33)34)20-10-8-18(9-11-20)19-5-3-6-22(15-19)32-17-24(28(36)31-21-12-13-21)26(35)23-7-4-14-30-27(23)32/h3-11,14-15,17,21H,12-13,16H2,1-2H3,(H,31,36)(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.850n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair