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BDBM50232757 CHEMBL4092412

SMILES: CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1

InChI Key: InChIKey=DBHPVKNFKBKJCE-MRXNPFEDSA-N

Data: 3 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50232757   
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))
BDBM50232757
PNG
(CHEMBL4092412)
Show SMILES CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H25NO2/c1-19(2,3)20-13-16(21)14-22-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16,20-21H,13-14H2,1-3H3/t16-/m1/s1
PDB
MMDB

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PC sid
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Article
PubMed
n/an/an/a 0.0355n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method


ACS Med Chem Lett 8: 481-485 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00363
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50232757
PNG
(CHEMBL4092412)
Show SMILES CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H25NO2/c1-19(2,3)20-13-16(21)14-22-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16,20-21H,13-14H2,1-3H3/t16-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 0.0182n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Partial agonist activity at human beta2-AR expressed in CHOK1 cells assessed as inhibition of cimaterol-induced CRE-SPAP production after 5 hrs


ACS Med Chem Lett 8: 481-485 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00363
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50232757
PNG
(CHEMBL4092412)
Show SMILES CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H25NO2/c1-19(2,3)20-13-16(21)14-22-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16,20-21H,13-14H2,1-3H3/t16-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 0.977n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method


ACS Med Chem Lett 8: 481-485 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00363
More data for this
Ligand-Target Pair