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BDBM50419015 CHEMBL1814272

SMILES: OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1cc(O)[nH]c1=O

InChI Key: InChIKey=ZJMCDSAINRRPBX-SANMLTNESA-N

Data: 4 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 4 hits for monomerid = 50419015   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50419015
PNG
(CHEMBL1814272)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1cc(O)[nH]c1=O
Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-37-15-6-3-8-21-9-7-10-24(16-21)31-19-27(35)30-28(31)36/h7,9-12,16-17,19,26,29,32-35H,1-6,8,13-15,18,20H2,(H,30,36)/t26-/m0/s1
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n/an/an/an/a 2.5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation


Bioorg Med Chem 19: 4192-201 (2011)


Article DOI: 10.1016/j.bmc.2011.05.064
BindingDB Entry DOI: 10.7270/Q2BK1DM0
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50419015
PNG
(CHEMBL1814272)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1cc(O)[nH]c1=O
Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-37-15-6-3-8-21-9-7-10-24(16-21)31-19-27(35)30-28(31)36/h7,9-12,16-17,19,26,29,32-35H,1-6,8,13-15,18,20H2,(H,30,36)/t26-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation


Bioorg Med Chem 19: 4192-201 (2011)


Article DOI: 10.1016/j.bmc.2011.05.064
BindingDB Entry DOI: 10.7270/Q2BK1DM0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50419015
PNG
(CHEMBL1814272)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1cc(O)[nH]c1=O
Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-37-15-6-3-8-21-9-7-10-24(16-21)31-19-27(35)30-28(31)36/h7,9-12,16-17,19,26,29,32-35H,1-6,8,13-15,18,20H2,(H,30,36)/t26-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 19: 4192-201 (2011)


Article DOI: 10.1016/j.bmc.2011.05.064
BindingDB Entry DOI: 10.7270/Q2BK1DM0
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50419015
PNG
(CHEMBL1814272)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1cc(O)[nH]c1=O
Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-37-15-6-3-8-21-9-7-10-24(16-21)31-19-27(35)30-28(31)36/h7,9-12,16-17,19,26,29,32-35H,1-6,8,13-15,18,20H2,(H,30,36)/t26-/m0/s1
PDB

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PC sid
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Article
PubMed
n/an/an/an/a 316n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation


Bioorg Med Chem 19: 4192-201 (2011)


Article DOI: 10.1016/j.bmc.2011.05.064
BindingDB Entry DOI: 10.7270/Q2BK1DM0
More data for this
Ligand-Target Pair