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BDBM50352110 CHEMBL1824264

SMILES: COc1ccc2nc(-c3ccc(OCC(O)CNC(C)C)cc3)n(C)c(=O)c2c1

InChI Key: InChIKey=RNFBBRXRAZCIBZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50352110   
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


(Homo sapiens (Human))
BDBM50352110
PNG
(CHEMBL1824264)
Show SMILES COc1ccc2nc(-c3ccc(OCC(O)CNC(C)C)cc3)n(C)c(=O)c2c1
Show InChI InChI=1S/C22H27N3O4/c1-14(2)23-12-16(26)13-29-17-7-5-15(6-8-17)21-24-20-10-9-18(28-4)11-19(20)22(27)25(21)3/h5-11,14,16,23,26H,12-13H2,1-4H3
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Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]-Iodopindolol from beta1-adrenergic receptor after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5506-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.106
BindingDB Entry DOI: 10.7270/Q25B02VN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50352110
PNG
(CHEMBL1824264)
Show SMILES COc1ccc2nc(-c3ccc(OCC(O)CNC(C)C)cc3)n(C)c(=O)c2c1
Show InChI InChI=1S/C22H27N3O4/c1-14(2)23-12-16(26)13-29-17-7-5-15(6-8-17)21-24-20-10-9-18(28-4)11-19(20)22(27)25(21)3/h5-11,14,16,23,26H,12-13H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.50E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A receptor after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5506-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.106
BindingDB Entry DOI: 10.7270/Q25B02VN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50352110
PNG
(CHEMBL1824264)
Show SMILES COc1ccc2nc(-c3ccc(OCC(O)CNC(C)C)cc3)n(C)c(=O)c2c1
Show InChI InChI=1S/C22H27N3O4/c1-14(2)23-12-16(26)13-29-17-7-5-15(6-8-17)21-24-20-10-9-18(28-4)11-19(20)22(27)25(21)3/h5-11,14,16,23,26H,12-13H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7.70E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]-Iodopindolol from beta2-adrenergic receptor after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5506-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.106
BindingDB Entry DOI: 10.7270/Q25B02VN
More data for this
Ligand-Target Pair