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BDBM50412775 CHEMBL492785

SMILES: C(COc1ccccc1)NC[C@@H]1COC[C@H](O1)c1ccccc1

InChI Key: InChIKey=ZUVHIOFWBBSJDZ-MOPGFXCFSA-N

Data: 5 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 5 hits for monomerid = 50412775   
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412775
PNG
(CHEMBL492785)
Show SMILES C(COc1ccccc1)NC[C@@H]1COC[C@H](O1)c1ccccc1
Show InChI InChI=1S/C19H23NO3/c1-3-7-16(8-4-1)19-15-21-14-18(23-19)13-20-11-12-22-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
52n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412775
PNG
(CHEMBL492785)
Show SMILES C(COc1ccccc1)NC[C@@H]1COC[C@H](O1)c1ccccc1
Show InChI InChI=1S/C19H23NO3/c1-3-7-16(8-4-1)19-15-21-14-18(23-19)13-20-11-12-22-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
52.5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in human HeLa cells


J Med Chem 51: 6359-70 (2008)


Article DOI: 10.1021/jm800461k
BindingDB Entry DOI: 10.7270/Q2S183R7
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50412775
PNG
(CHEMBL492785)
Show SMILES C(COc1ccccc1)NC[C@@H]1COC[C@H](O1)c1ccccc1
Show InChI InChI=1S/C19H23NO3/c1-3-7-16(8-4-1)19-15-21-14-18(23-19)13-20-11-12-22-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
155n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cells


J Med Chem 51: 6359-70 (2008)


Article DOI: 10.1021/jm800461k
BindingDB Entry DOI: 10.7270/Q2S183R7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50412775
PNG
(CHEMBL492785)
Show SMILES C(COc1ccccc1)NC[C@@H]1COC[C@H](O1)c1ccccc1
Show InChI InChI=1S/C19H23NO3/c1-3-7-16(8-4-1)19-15-21-14-18(23-19)13-20-11-12-22-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
407n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cells


J Med Chem 51: 6359-70 (2008)


Article DOI: 10.1021/jm800461k
BindingDB Entry DOI: 10.7270/Q2S183R7
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50412775
PNG
(CHEMBL492785)
Show SMILES C(COc1ccccc1)NC[C@@H]1COC[C@H](O1)c1ccccc1
Show InChI InChI=1S/C19H23NO3/c1-3-7-16(8-4-1)19-15-21-14-18(23-19)13-20-11-12-22-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned Alpha-1B adrenoreceptor expressed in CHO cells


J Med Chem 51: 6359-70 (2008)


Article DOI: 10.1021/jm800461k
BindingDB Entry DOI: 10.7270/Q2S183R7
More data for this
Ligand-Target Pair