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BDBM50106974 4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic acid methylamide::CHEMBL107012

SMILES: CNC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1

InChI Key: InChIKey=OTFOLBPJZMDYME-QFIPXVFZSA-N

Data: 2 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 = 50106974   
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-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50106974
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES CNC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H34N4O4/c1-25-24(31)28-14-11-20(12-15-28)27-19-4-2-18(3-5-19)10-13-26-16-22(30)17-32-23-8-6-21(29)7-9-23/h2-9,20,22,26-27,29-30H,10-17H2,1H3,(H,25,31)/t22-/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 350n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor


Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106974
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES CNC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H34N4O4/c1-25-24(31)28-14-11-20(12-15-28)27-19-4-2-18(3-5-19)10-13-26-16-22(30)17-32-23-8-6-21(29)7-9-23/h2-9,20,22,26-27,29-30H,10-17H2,1H3,(H,25,31)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 47n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor


Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair