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BDBM50419715 CHEMBL1946788

SMILES: COc1ccccc1N1CCN(C[C@H]2CCC([C@@H]2O)(c2ccccc2)c2ccccc2)CC1

InChI Key: InChIKey=GZRLRTFOHXYECM-QDPGVEIFSA-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 = 50419715   
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))
BDBM50419715
PNG
(CHEMBL1946788)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CCC([C@@H]2O)(c2ccccc2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C29H34N2O2/c1-33-27-15-9-8-14-26(27)31-20-18-30(19-21-31)22-23-16-17-29(28(23)32,24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,23,28,32H,16-22H2,1H3/t23-,28-/m1/s1
UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
Article
PubMed
0.794n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50419715
PNG
(CHEMBL1946788)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CCC([C@@H]2O)(c2ccccc2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C29H34N2O2/c1-33-27-15-9-8-14-26(27)31-20-18-30(19-21-31)22-23-16-17-29(28(23)32,24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,23,28,32H,16-22H2,1H3/t23-,28-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
44.7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50419715
PNG
(CHEMBL1946788)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CCC([C@@H]2O)(c2ccccc2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C29H34N2O2/c1-33-27-15-9-8-14-26(27)31-20-18-30(19-21-31)22-23-16-17-29(28(23)32,24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,23,28,32H,16-22H2,1H3/t23-,28-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
Article
PubMed
67.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant Alpha-1D adrenoreceptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50419715
PNG
(CHEMBL1946788)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CCC([C@@H]2O)(c2ccccc2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C29H34N2O2/c1-33-27-15-9-8-14-26(27)31-20-18-30(19-21-31)22-23-16-17-29(28(23)32,24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,23,28,32H,16-22H2,1H3/t23-,28-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
245n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1B adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair