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BDBM50318154 8-Hydroxy-5-[(R)-1-hydroxy-2-(4,7-diethylindan-2-ylamino)-ethyl]-1H-quinolin-2-one::CHEMBL1094487

SMILES: CCc1ccc(CC)c2CC(Cc12)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12

InChI Key: InChIKey=SARQODHPNUVLSS-QFIPXVFZSA-N

Data: 1 KI  1 IC50  1 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 3 hits for monomerid = 50318154   
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))
BDBM50318154
PNG
(8-Hydroxy-5-[(R)-1-hydroxy-2-(4,7-diethylindan-2-y...)
Show SMILES CCc1ccc(CC)c2CC(Cc12)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1S/C24H28N2O3/c1-3-14-5-6-15(4-2)20-12-16(11-19(14)20)25-13-22(28)17-7-9-21(27)24-18(17)8-10-23(29)26-24/h5-10,16,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1
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PC sid
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Article
PubMed
692n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay


J Med Chem 53: 3675-84 (2010)


Article DOI: 10.1021/jm100068m
BindingDB Entry DOI: 10.7270/Q27H1JRT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50318154
PNG
(8-Hydroxy-5-[(R)-1-hydroxy-2-(4,7-diethylindan-2-y...)
Show SMILES CCc1ccc(CC)c2CC(Cc12)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1S/C24H28N2O3/c1-3-14-5-6-15(4-2)20-12-16(11-19(14)20)25-13-22(28)17-7-9-21(27)24-18(17)8-10-23(29)26-24/h5-10,16,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


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


J Med Chem 53: 3675-84 (2010)


Article DOI: 10.1021/jm100068m
BindingDB Entry DOI: 10.7270/Q27H1JRT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50318154
PNG
(8-Hydroxy-5-[(R)-1-hydroxy-2-(4,7-diethylindan-2-y...)
Show SMILES CCc1ccc(CC)c2CC(Cc12)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1S/C24H28N2O3/c1-3-14-5-6-15(4-2)20-12-16(11-19(14)20)25-13-22(28)17-7-9-21(27)24-18(17)8-10-23(29)26-24/h5-10,16,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1
PDB
MMDB

Reactome pathway
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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 115n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor assessed as increase in cAMP level by whole cell assay


J Med Chem 53: 3675-84 (2010)


Article DOI: 10.1021/jm100068m
BindingDB Entry DOI: 10.7270/Q27H1JRT
More data for this
Ligand-Target Pair