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BDBM50421328 CHEMBL2088200

SMILES: Cc1c2CC(Cc2c(C)c(C)c1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12

InChI Key: InChIKey=MXMBWPWORLTOSF-QFIPXVFZSA-N

Data: 2 KI

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 2 hits for monomerid = 50421328   
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))
BDBM50421328
PNG
(CHEMBL2088200)
Show SMILES Cc1c2CC(Cc2c(C)c(C)c1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1S/C24H28N2O3/c1-12-13(2)15(4)20-10-16(9-19(20)14(12)3)25-11-22(28)17-5-7-21(27)24-18(17)6-8-23(29)26-24/h5-8,16,22,25,27-28H,9-11H2,1-4H3,(H,26,29)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
175n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay


Bioorg Med Chem Lett 22: 6280-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50421328
PNG
(CHEMBL2088200)
Show SMILES Cc1c2CC(Cc2c(C)c(C)c1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1S/C24H28N2O3/c1-12-13(2)15(4)20-10-16(9-19(20)14(12)3)25-11-22(28)17-5-7-21(27)24-18(17)6-8-23(29)26-24/h5-8,16,22,25,27-28H,9-11H2,1-4H3,(H,26,29)/t22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
421n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human beta1-adrenoceptor by radioligand binding assay


Bioorg Med Chem Lett 22: 6280-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09
More data for this
Ligand-Target Pair