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BDBM50411191 CHEMBL214762

SMILES: COc1cc(ccc1OCCNC[C@H]1COc2ccccc2O1)-c1ccccc1

InChI Key: InChIKey=NTTBWNFZOZWLDB-GNLPSFAGNA-N

Data: 4 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 4 hits for monomerid = 50411191   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50411191
PNG
(CHEMBL214762)
Show SMILES COc1cc(ccc1OCCNC[C@H]1COc2ccccc2O1)-c1ccccc1
Show InChI InChI=1/C24H25NO4/c1-26-24-15-19(18-7-3-2-4-8-18)11-12-22(24)27-14-13-25-16-20-17-28-21-9-5-6-10-23(21)29-20/h2-12,15,20,25H,13-14,16-17H2,1H3/t20-/s2
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

Similars

Article
PubMed
74n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50411191
PNG
(CHEMBL214762)
Show SMILES COc1cc(ccc1OCCNC[C@H]1COc2ccccc2O1)-c1ccccc1
Show InChI InChI=1/C24H25NO4/c1-26-24-15-19(18-7-3-2-4-8-18)11-12-22(24)27-14-13-25-16-20-17-28-21-9-5-6-10-23(21)29-20/h2-12,15,20,25H,13-14,16-17H2,1H3/t20-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
CHEMBL
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PC sid
UniChem

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Article
PubMed
87n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human adrenergic alpha 1A receptor expressed in CHO cells


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50411191
PNG
(CHEMBL214762)
Show SMILES COc1cc(ccc1OCCNC[C@H]1COc2ccccc2O1)-c1ccccc1
Show InChI InChI=1/C24H25NO4/c1-26-24-15-19(18-7-3-2-4-8-18)11-12-22(24)27-14-13-25-16-20-17-28-21-9-5-6-10-23(21)29-20/h2-12,15,20,25H,13-14,16-17H2,1H3/t20-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
186n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human adrenergic alpha 1B receptor expressed in CHO cells


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50411191
PNG
(CHEMBL214762)
Show SMILES COc1cc(ccc1OCCNC[C@H]1COc2ccccc2O1)-c1ccccc1
Show InChI InChI=1/C24H25NO4/c1-26-24-15-19(18-7-3-2-4-8-18)11-12-22(24)27-14-13-25-16-20-17-28-21-9-5-6-10-23(21)29-20/h2-12,15,20,25H,13-14,16-17H2,1H3/t20-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
214n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human adrenergic alpha 1D receptor expressed in CHO cells


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair