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BDBM50365061 CHEMBL1951070

SMILES: COc1ccc(cc1OC)C1=NN(CCCCCCNCC(O)c2ccc(O)c(NC=O)c2)C(=O)C2CCCCC12

InChI Key: InChIKey=FUMSMBXWHGSXJH-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50365061   
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
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50365061
PNG
(CHEMBL1951070)
Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCCNCC(O)c2ccc(O)c(NC=O)c2)C(=O)C2CCCCC12 |t:11|
Show InChI InChI=1S/C31H42N4O6/c1-40-28-14-12-22(18-29(28)41-2)30-23-9-5-6-10-24(23)31(39)35(34-30)16-8-4-3-7-15-32-19-27(38)21-11-13-26(37)25(17-21)33-20-36/h11-14,17-18,20,23-24,27,32,37-38H,3-10,15-16,19H2,1-2H3,(H,33,36)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 50.1n/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoceptor in guinea pig assessed as relaxation of histamine-induced tracheal ring contraction


Bioorg Med Chem Lett 22: 1523-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.013
BindingDB Entry DOI: 10.7270/Q2794548
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50365061
PNG
(CHEMBL1951070)
Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCCNCC(O)c2ccc(O)c(NC=O)c2)C(=O)C2CCCCC12 |t:11|
Show InChI InChI=1S/C31H42N4O6/c1-40-28-14-12-22(18-29(28)41-2)30-23-9-5-6-10-24(23)31(39)35(34-30)16-8-4-3-7-15-32-19-27(38)21-11-13-26(37)25(17-21)33-20-36/h11-14,17-18,20,23-24,27,32,37-38H,3-10,15-16,19H2,1-2H3,(H,33,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 251n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2-mediated cAMP hydrolysis for 30 mins by colorimetric assay


Bioorg Med Chem Lett 22: 1523-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.013
BindingDB Entry DOI: 10.7270/Q2794548
More data for this
Ligand-Target Pair