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17 molecules are shown

Compile data set for download or QSAR
Wt: 343.4
BDBM50412790
Wt: 343.4
BDBM50412773
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50412790,50412773   
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))
BDBM50412773
PNG
(CHEMBL452437)
Show SMILES COc1ccccc1OCCNC[C@@H]1COC[C@@H](O1)c1ccccc1
Show InChI InChI=1/C20H25NO4/c1-22-18-9-5-6-10-19(18)24-12-11-21-13-17-14-23-15-20(25-17)16-7-3-2-4-8-16/h2-10,17,20-21H,11-15H2,1H3/t17-,20-/s2
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Article
PubMed
4.17n/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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412773
PNG
(CHEMBL452437)
Show SMILES COc1ccccc1OCCNC[C@@H]1COC[C@@H](O1)c1ccccc1
Show InChI InChI=1/C20H25NO4/c1-22-18-9-5-6-10-19(18)24-12-11-21-13-17-14-23-15-20(25-17)16-7-3-2-4-8-16/h2-10,17,20-21H,11-15H2,1H3/t17-,20-/s2
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PubMed
4.20n/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))
BDBM50412790
PNG
(CHEMBL493041)
Show SMILES COc1ccccc1OCCNC[C@@H]1COC[C@H](O1)c1ccccc1
Show InChI InChI=1/C20H25NO4/c1-22-18-9-5-6-10-19(18)24-12-11-21-13-17-14-23-15-20(25-17)16-7-3-2-4-8-16/h2-10,17,20-21H,11-15H2,1H3/t17-,20+/s2
UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
6n/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))
BDBM50412790
PNG
(CHEMBL493041)
Show SMILES COc1ccccc1OCCNC[C@@H]1COC[C@H](O1)c1ccccc1
Show InChI InChI=1/C20H25NO4/c1-22-18-9-5-6-10-19(18)24-12-11-21-13-17-14-23-15-20(25-17)16-7-3-2-4-8-16/h2-10,17,20-21H,11-15H2,1H3/t17-,20+/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
6.03n/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))
BDBM50412790
PNG
(CHEMBL493041)
Show SMILES COc1ccccc1OCCNC[C@@H]1COC[C@H](O1)c1ccccc1
Show InChI InChI=1/C20H25NO4/c1-22-18-9-5-6-10-19(18)24-12-11-21-13-17-14-23-15-20(25-17)16-7-3-2-4-8-16/h2-10,17,20-21H,11-15H2,1H3/t17-,20+/s2
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Article
PubMed
31.6n/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-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50412773
PNG
(CHEMBL452437)
Show SMILES COc1ccccc1OCCNC[C@@H]1COC[C@@H](O1)c1ccccc1
Show InChI InChI=1/C20H25NO4/c1-22-18-9-5-6-10-19(18)24-12-11-21-13-17-14-23-15-20(25-17)16-7-3-2-4-8-16/h2-10,17,20-21H,11-15H2,1H3/t17-,20-/s2
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KEGG

UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
43.6n/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))
BDBM50412790
PNG
(CHEMBL493041)
Show SMILES COc1ccccc1OCCNC[C@@H]1COC[C@H](O1)c1ccccc1
Show InChI InChI=1/C20H25NO4/c1-22-18-9-5-6-10-19(18)24-12-11-21-13-17-14-23-15-20(25-17)16-7-3-2-4-8-16/h2-10,17,20-21H,11-15H2,1H3/t17-,20+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
87.1n/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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50412773
PNG
(CHEMBL452437)
Show SMILES COc1ccccc1OCCNC[C@@H]1COC[C@@H](O1)c1ccccc1
Show InChI InChI=1/C20H25NO4/c1-22-18-9-5-6-10-19(18)24-12-11-21-13-17-14-23-15-20(25-17)16-7-3-2-4-8-16/h2-10,17,20-21H,11-15H2,1H3/t17-,20-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/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))
BDBM50412773
PNG
(CHEMBL452437)
Show SMILES COc1ccccc1OCCNC[C@@H]1COC[C@@H](O1)c1ccccc1
Show InChI InChI=1/C20H25NO4/c1-22-18-9-5-6-10-19(18)24-12-11-21-13-17-14-23-15-20(25-17)16-7-3-2-4-8-16/h2-10,17,20-21H,11-15H2,1H3/t17-,20-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
269n/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
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50412790
PNG
(CHEMBL493041)
Show SMILES COc1ccccc1OCCNC[C@@H]1COC[C@H](O1)c1ccccc1
Show InChI InChI=1/C20H25NO4/c1-22-18-9-5-6-10-19(18)24-12-11-21-13-17-14-23-15-20(25-17)16-7-3-2-4-8-16/h2-10,17,20-21H,11-15H2,1H3/t17-,20+/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
302n/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