BindingDB logo
myBDB logout

BDBM50224025 6-(4-(2-((S)-2-hydroxy-3-(3-methyl-2-oxoindolin-4-yloxy)propylamino)-2-methylpropyl)phenoxy)nicotinamide::CHEMBL404626

SMILES: CC1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)c12

InChI Key: InChIKey=WAMWYZOEWMINIF-OZBJMMHXSA-N

Data: 3 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 = 50224025   
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
Adrenergic receptor


(Homo sapiens (Human))
BDBM50224025
PNG
(6-(4-(2-((S)-2-hydroxy-3-(3-methyl-2-oxoindolin-4-...)
Show SMILES CC1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)c12
Show InChI InChI=1S/C28H32N4O5/c1-17-25-22(32-27(17)35)5-4-6-23(25)36-16-20(33)15-31-28(2,3)13-18-7-10-21(11-8-18)37-24-12-9-19(14-30-24)26(29)34/h4-12,14,17,20,31,33H,13,15-16H2,1-3H3,(H2,29,34)(H,32,35)/t17?,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP level


Bioorg Med Chem Lett 17: 6270-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.011
BindingDB Entry DOI: 10.7270/Q22V2FV6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50224025
PNG
(6-(4-(2-((S)-2-hydroxy-3-(3-methyl-2-oxoindolin-4-...)
Show SMILES CC1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)c12
Show InChI InChI=1S/C28H32N4O5/c1-17-25-22(32-27(17)35)5-4-6-23(25)36-16-20(33)15-31-28(2,3)13-18-7-10-21(11-8-18)37-24-12-9-19(14-30-24)26(29)34/h4-12,14,17,20,31,33H,13,15-16H2,1-3H3,(H2,29,34)(H,32,35)/t17?,20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP level


Bioorg Med Chem Lett 17: 6270-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.011
BindingDB Entry DOI: 10.7270/Q22V2FV6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50224025
PNG
(6-(4-(2-((S)-2-hydroxy-3-(3-methyl-2-oxoindolin-4-...)
Show SMILES CC1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)c12
Show InChI InChI=1S/C28H32N4O5/c1-17-25-22(32-27(17)35)5-4-6-23(25)36-16-20(33)15-31-28(2,3)13-18-7-10-21(11-8-18)37-24-12-9-19(14-30-24)26(29)34/h4-12,14,17,20,31,33H,13,15-16H2,1-3H3,(H2,29,34)(H,32,35)/t17?,20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 12n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human beta-3 adrenergic receptor expressed in CHO cells assessed as cAMP level


Bioorg Med Chem Lett 17: 6270-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.011
BindingDB Entry DOI: 10.7270/Q22V2FV6
More data for this
Ligand-Target Pair