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SMILES: O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCN(CC1)c1cccc2OCCOc12

InChI Key: InChIKey=HVYKQLWDJZYOQY-UYAOXDASSA-N

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 = 50396145   
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


(Homo sapiens (Human))
BDBM50396145
PNG
(CHEMBL300100)
Show SMILES O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H23FN2O3/c22-15-4-5-16-14(12-15)13-18(20(16)25)24-8-6-23(7-9-24)17-2-1-3-19-21(17)27-11-10-26-19/h1-5,12,18,20,25H,6-11,13H2/t18-,20-/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
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PubMed
0.631n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity at human 5-hydroxytryptamine 1A receptor by inhibition of [3H]8-OH-DPAT binding in Chinese hamster ovary cell line


J Med Chem 45: 165-76 (2002)


Article DOI: 10.1021/jm010975+
BindingDB Entry DOI: 10.7270/Q25D8VK9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50396145
PNG
(CHEMBL300100)
Show SMILES O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H23FN2O3/c22-15-4-5-16-14(12-15)13-18(20(16)25)24-8-6-23(7-9-24)17-2-1-3-19-21(17)27-11-10-26-19/h1-5,12,18,20,25H,6-11,13H2/t18-,20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.26n/an/an/an/an/an/an/an/a



Amgen, Inc

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT1A receptor


J Med Chem 55: 6002-20 (2012)


Article DOI: 10.1021/jm300343m
BindingDB Entry DOI: 10.7270/Q2WH2R4H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50396145
PNG
(CHEMBL300100)
Show SMILES O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H23FN2O3/c22-15-4-5-16-14(12-15)13-18(20(16)25)24-8-6-23(7-9-24)17-2-1-3-19-21(17)27-11-10-26-19/h1-5,12,18,20,25H,6-11,13H2/t18-,20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity at human 5-hydroxytryptamine 1A receptor by inhibition of [3H]8-OH-DPAT binding in Chinese hamster ovary cell line


J Med Chem 45: 165-76 (2002)


Article DOI: 10.1021/jm010975+
BindingDB Entry DOI: 10.7270/Q25D8VK9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50396145
PNG
(CHEMBL300100)
Show SMILES O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H23FN2O3/c22-15-4-5-16-14(12-15)13-18(20(16)25)24-8-6-23(7-9-24)17-2-1-3-19-21(17)27-11-10-26-19/h1-5,12,18,20,25H,6-11,13H2/t18-,20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity at human 5-hydroxytryptamine 1A receptor by inhibition of [3H]8-OH-DPAT binding in Chinese hamster ovary cell line


J Med Chem 45: 165-76 (2002)


Article DOI: 10.1021/jm010975+
BindingDB Entry DOI: 10.7270/Q25D8VK9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50396145
PNG
(CHEMBL300100)
Show SMILES O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H23FN2O3/c22-15-4-5-16-14(12-15)13-18(20(16)25)24-8-6-23(7-9-24)17-2-1-3-19-21(17)27-11-10-26-19/h1-5,12,18,20,25H,6-11,13H2/t18-,20-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
708n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor by inhibition of [3H]-prazosin binding to rat cortex


J Med Chem 45: 165-76 (2002)


Article DOI: 10.1021/jm010975+
BindingDB Entry DOI: 10.7270/Q25D8VK9
More data for this
Ligand-Target Pair