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BDBM50419317 CHEMBL1835854

SMILES: CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1

InChI Key: InChIKey=QTVNWPXBPRYDFT-MHZLTWQESA-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 = 50419317   
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


(Homo sapiens (Human))
BDBM50419317
PNG
(CHEMBL1835854)
Show SMILES CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1
Show InChI InChI=1S/C28H43N3O5/c1-2-30-28(35)31-25-12-9-11-22(18-25)10-5-8-17-36-16-7-4-3-6-15-29-20-27(34)23-13-14-26(33)24(19-23)21-32/h9,11-14,18-19,27,29,32-34H,2-8,10,15-17,20-21H2,1H3,(H2,30,31,35)/t27-/m0/s1
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PubMed
n/an/an/an/a 1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem 19: 6026-32 (2011)


Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50419317
PNG
(CHEMBL1835854)
Show SMILES CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1
Show InChI InChI=1S/C28H43N3O5/c1-2-30-28(35)31-25-12-9-11-22(18-25)10-5-8-17-36-16-7-4-3-6-15-29-20-27(34)23-13-14-26(33)24(19-23)21-32/h9,11-14,18-19,27,29,32-34H,2-8,10,15-17,20-21H2,1H3,(H2,30,31,35)/t27-/m0/s1
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Article
PubMed
n/an/an/an/a 1.30n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response


Bioorg Med Chem 19: 6026-32 (2011)


Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50419317
PNG
(CHEMBL1835854)
Show SMILES CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1
Show InChI InChI=1S/C28H43N3O5/c1-2-30-28(35)31-25-12-9-11-22(18-25)10-5-8-17-36-16-7-4-3-6-15-29-20-27(34)23-13-14-26(33)24(19-23)21-32/h9,11-14,18-19,27,29,32-34H,2-8,10,15-17,20-21H2,1H3,(H2,30,31,35)/t27-/m0/s1
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PubMed
n/an/an/an/a 158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem 19: 6026-32 (2011)


Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D
More data for this
Ligand-Target Pair
Beta-1 adrenergic recepto


(Homo sapiens (Human))
BDBM50419317
PNG
(CHEMBL1835854)
Show SMILES CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1
Show InChI InChI=1S/C28H43N3O5/c1-2-30-28(35)31-25-12-9-11-22(18-25)10-5-8-17-36-16-7-4-3-6-15-29-20-27(34)23-13-14-26(33)24(19-23)21-32/h9,11-14,18-19,27,29,32-34H,2-8,10,15-17,20-21H2,1H3,(H2,30,31,35)/t27-/m0/s1
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Article
PubMed
n/an/an/an/a 32n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem 19: 6026-32 (2011)


Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D
More data for this
Ligand-Target Pair