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SMILES: [H][C@@]1(CCN(CCc2ccc(F)cc2)C1)NC(=O)C12CC3([H])CC([H])(CC([H])(C3)C1)C2

InChI Key: InChIKey=DDZQMBOZIXTELH-FCSDKFEESA-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 = 50218398   
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...)
BDBM50218398
PNG
(CHEMBL1907861)
Show SMILES [H][C@@]1(CCN(CCc2ccc(F)cc2)C1)NC(=O)C12CC3([H])CC([H])(CC([H])(C3)C1)C2 |r,TLB:28:20:30:29.26.25,28:26:30:19.20.22,22:23:29:19.20.28,THB:22:20:29:30.23.25|
Show InChI InChI=1S/C23H31FN2O/c24-20-3-1-16(2-4-20)5-7-26-8-6-21(15-26)25-22(27)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,25,27)/t17?,18?,19?,21-,23?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0900n/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))
BDBM50218398
PNG
(CHEMBL1907861)
Show SMILES [H][C@@]1(CCN(CCc2ccc(F)cc2)C1)NC(=O)C12CC3([H])CC([H])(CC([H])(C3)C1)C2 |r,TLB:28:20:30:29.26.25,28:26:30:19.20.22,22:23:29:19.20.28,THB:22:20:29:30.23.25|
Show InChI InChI=1S/C23H31FN2O/c24-20-3-1-16(2-4-20)5-7-26-8-6-21(15-26)25-22(27)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,25,27)/t17?,18?,19?,21-,23?/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3n/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))
BDBM50218398
PNG
(CHEMBL1907861)
Show SMILES [H][C@@]1(CCN(CCc2ccc(F)cc2)C1)NC(=O)C12CC3([H])CC([H])(CC([H])(C3)C1)C2 |r,TLB:28:20:30:29.26.25,28:26:30:19.20.22,22:23:29:19.20.28,THB:22:20:29:30.23.25|
Show InChI InChI=1S/C23H31FN2O/c24-20-3-1-16(2-4-20)5-7-26-8-6-21(15-26)25-22(27)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,25,27)/t17?,18?,19?,21-,23?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
79n/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