BindingDB logo
myBDB logout

null

SMILES: O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCC(CC1)c1cccc2CCOc12

InChI Key: InChIKey=SXTSCSDLHDMAOP-NHCUHLMSSA-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 2 hits for monomerid = 50473598   
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))
BDBM50473598
PNG
(CHEMBL48713)
Show SMILES O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCC(CC1)c1cccc2CCOc12
Show InChI InChI=1S/C22H24FNO2/c23-17-4-5-18-16(12-17)13-20(21(18)25)24-9-6-14(7-10-24)19-3-1-2-15-8-11-26-22(15)19/h1-5,12,14,20-21,25H,6-11,13H2/t20-,21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.5n/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))
BDBM50473598
PNG
(CHEMBL48713)
Show SMILES O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCC(CC1)c1cccc2CCOc12
Show InChI InChI=1S/C22H24FNO2/c23-17-4-5-18-16(12-17)13-20(21(18)25)24-9-6-14(7-10-24)19-3-1-2-15-8-11-26-22(15)19/h1-5,12,14,20-21,25H,6-11,13H2/t20-,21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
46n/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