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BDBM50412785 CHEMBL493284

SMILES: COc1cccc(OC)c1OCCNC[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=XDMUHNCCYHIUIM-QWVACARCNA-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 = 50412785   
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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50412785
PNG
(CHEMBL493284)
Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1
Show InChI InChI=1/C27H31NO5/c1-29-24-14-9-15-25(30-2)26(24)31-17-16-28-18-23-19-33-27(20-32-23,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,23,28H,16-20H2,1-2H3/t23-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
89.1n/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
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50412785
PNG
(CHEMBL493284)
Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1
Show InChI InChI=1/C27H31NO5/c1-29-24-14-9-15-25(30-2)26(24)31-17-16-28-18-23-19-33-27(20-32-23,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,23,28H,16-20H2,1-2H3/t23-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
126n/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
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50412785
PNG
(CHEMBL493284)
Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1
Show InChI InChI=1/C27H31NO5/c1-29-24-14-9-15-25(30-2)26(24)31-17-16-28-18-23-19-33-27(20-32-23,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,23,28H,16-20H2,1-2H3/t23-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
170n/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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412785
PNG
(CHEMBL493284)
Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1
Show InChI InChI=1/C27H31NO5/c1-29-24-14-9-15-25(30-2)26(24)31-17-16-28-18-23-19-33-27(20-32-23,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,23,28H,16-20H2,1-2H3/t23-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
229n/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