BindingDB logo
myBDB logout

BDBM50405408 CHEMBL2052004

SMILES: COCc1cnc([nH]1)-c1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1

InChI Key: InChIKey=VCZOJHDSELRWFA-FQEVSTJZSA-N

Data: 3 Kd

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 = 50405408   
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-1 adrenergic receptor


(GUINEA PIG)
BDBM50405408
PNG
(CHEMBL2052004)
Show SMILES COCc1cnc([nH]1)-c1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 |r|
Show InChI InChI=1S/C24H31N3O5/c1-29-15-19-13-26-24(27-19)18-5-7-21(8-6-18)32-16-20(28)14-25-11-10-17-4-9-22(30-2)23(12-17)31-3/h4-9,12-13,20,25,28H,10-11,14-16H2,1-3H3,(H,26,27)/t20-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 11n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50405408
PNG
(CHEMBL2052004)
Show SMILES COCc1cnc([nH]1)-c1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 |r|
Show InChI InChI=1S/C24H31N3O5/c1-29-15-19-13-26-24(27-19)18-5-7-21(8-6-18)32-16-20(28)14-25-11-10-17-4-9-22(30-2)23(12-17)31-3/h4-9,12-13,20,25,28H,10-11,14-16H2,1-3H3,(H,26,27)/t20-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 3.80E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont...


J Med Chem 29: 1065-80 (1986)


BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50405408
PNG
(CHEMBL2052004)
Show SMILES COCc1cnc([nH]1)-c1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1 |r|
Show InChI InChI=1S/C24H31N3O5/c1-29-15-19-13-26-24(27-19)18-5-7-21(8-6-18)32-16-20(28)14-25-11-10-17-4-9-22(30-2)23(12-17)31-3/h4-9,12-13,20,25,28H,10-11,14-16H2,1-3H3,(H,26,27)/t20-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 17n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair