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BDBM50318155 8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-dimethoxyindan-2-ylamino)-ethyl]-1H-quinolin-2-one::CHEMBL1094486

SMILES: COc1cc2CC(Cc2cc1OC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12

InChI Key: InChIKey=XRZOULQZLDILQH-SFHVURJKSA-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 = 50318155   
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 and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318155
PNG
(8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-dimethoxyindan-2...)
Show SMILES COc1cc2CC(Cc2cc1OC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1S/C22H24N2O5/c1-28-19-9-12-7-14(8-13(12)10-20(19)29-2)23-11-18(26)15-3-5-17(25)22-16(15)4-6-21(27)24-22/h3-6,9-10,14,18,23,25-26H,7-8,11H2,1-2H3,(H,24,27)/t18-/m0/s1
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PC cid
PC sid
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Article
PubMed
342n/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)
BDBM50318155
PNG
(8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-dimethoxyindan-2...)
Show SMILES COc1cc2CC(Cc2cc1OC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1S/C22H24N2O5/c1-28-19-9-12-7-14(8-13(12)10-20(19)29-2)23-11-18(26)15-3-5-17(25)22-16(15)4-6-21(27)24-22/h3-6,9-10,14,18,23,25-26H,7-8,11H2,1-2H3,(H,24,27)/t18-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30n/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 and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318155
PNG
(8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-dimethoxyindan-2...)
Show SMILES COc1cc2CC(Cc2cc1OC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1S/C22H24N2O5/c1-28-19-9-12-7-14(8-13(12)10-20(19)29-2)23-11-18(26)15-3-5-17(25)22-16(15)4-6-21(27)24-22/h3-6,9-10,14,18,23,25-26H,7-8,11H2,1-2H3,(H,24,27)/t18-/m0/s1
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 18n/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