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BDBM50243438 4-(2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}ethoxy)-3-isobutyl-4-biphenylcarboxylic acid::CHEMBL453575

SMILES: CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2cccc(Cl)c2)cc1

InChI Key: InChIKey=YUPOCJDDQSOMHF-CYLJNIGPNA-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 = 50243438   
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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50243438
PNG
(4-(2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amin...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1/C27H30ClNO4/c1-18(2)14-22-15-20(8-11-25(22)27(31)32)19-6-9-24(10-7-19)33-13-12-29-17-26(30)21-4-3-5-23(28)16-21/h3-11,15-16,18,26,29-30H,12-14,17H2,1-2H3,(H,31,32)/t26-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.680n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50243438
PNG
(4-(2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amin...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1/C27H30ClNO4/c1-18(2)14-22-15-20(8-11-25(22)27(31)32)19-6-9-24(10-7-19)33-13-12-29-17-26(30)21-4-3-5-23(28)16-21/h3-11,15-16,18,26,29-30H,12-14,17H2,1-2H3,(H,31,32)/t26-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 15n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair