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SMILES: Fc1ccccc1CCN1CCC(C1)NC(=O)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=ZYZWIJNZQDASMZ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50218392   
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 2A/2B/2C


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50218392
PNG
(CHEMBL79277)
Show SMILES Fc1ccccc1CCN1CCC(C1)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:23:26:18.19.20,24:19:26:25.23.22,THB:22:23:18:26.21.20,22:21:18:25.23.24|
Show InChI InChI=1S/C23H31FN2O/c24-21-4-2-1-3-19(21)5-7-26-8-6-20(15-26)25-22(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18,20H,5-15H2,(H,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.140n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50218392
PNG
(CHEMBL79277)
Show SMILES Fc1ccccc1CCN1CCC(C1)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:23:26:18.19.20,24:19:26:25.23.22,THB:22:23:18:26.21.20,22:21:18:25.23.24|
Show InChI InChI=1S/C23H31FN2O/c24-21-4-2-1-3-19(21)5-7-26-8-6-20(15-26)25-22(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18,20H,5-15H2,(H,25,27)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
7.60n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 10: 2457-61 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50218392
PNG
(CHEMBL79277)
Show SMILES Fc1ccccc1CCN1CCC(C1)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:23:26:18.19.20,24:19:26:25.23.22,THB:22:23:18:26.21.20,22:21:18:25.23.24|
Show InChI InChI=1S/C23H31FN2O/c24-21-4-2-1-3-19(21)5-7-26-8-6-20(15-26)25-22(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18,20H,5-15H2,(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
20n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor from striata of wistar rats by [3H]- 8-OH -DPAT displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair