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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50126071'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50126071
PNG
((R)-1-((R)-3-Chloro-phenyl)-2-[2-(7-methoxy-1H-ind...)
Show SMILES COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12
Show InChI InChI=1S/C20H23ClN2O2/c1-13(22-12-18(24)14-5-3-6-16(21)10-14)9-15-11-23-20-17(15)7-4-8-19(20)25-2/h3-8,10-11,13,18,22-24H,9,12H2,1-2H3/t13-,18+/m1/s1
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 0.150n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity against human Beta-3 adrenergic receptor as cAMP accumulation in CHO cells expressing beta3-AR


Citation and Details
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50126071
PNG
((R)-1-((R)-3-Chloro-phenyl)-2-[2-(7-methoxy-1H-ind...)
Show SMILES COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12
Show InChI InChI=1S/C20H23ClN2O2/c1-13(22-12-18(24)14-5-3-6-16(21)10-14)9-15-11-23-20-17(15)7-4-8-19(20)25-2/h3-8,10-11,13,18,22-24H,9,12H2,1-2H3/t13-,18+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 0.360n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonism of recombinant human beta-3 adrenergic receptor assayed by measuring cAMP accumulation in CHO cells expressing beta3-AR


Citation and Details
More data for this
Ligand-Target Pair