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BDBM50453308 CHEMBL2079545

SMILES: [H][C@@]12Cc3cccc(OC)c3[C@]1([H])CCN(CCCCN1C(=O)CC3(CCCC3)CC1=O)C2

InChI Key: InChIKey=OTWHMVOGGXUZCR-LEWJYISDSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50453308   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50453308
PNG
(CHEMBL2079545)
Show SMILES COc1cccc2C[C@H]3CN(CCCCN4C(=O)CC5(CCCC5)CC4=O)CC[C@H]3c12
Show InChI InChI=1S/C26H36N2O3/c1-31-22-8-6-7-19-15-20-18-27(14-9-21(20)25(19)22)12-4-5-13-28-23(29)16-26(17-24(28)30)10-2-3-11-26/h6-8,20-21H,2-5,9-18H2,1H3/t20-,21+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
55n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50453308
PNG
(CHEMBL2079545)
Show SMILES COc1cccc2C[C@H]3CN(CCCCN4C(=O)CC5(CCCC5)CC4=O)CC[C@H]3c12
Show InChI InChI=1S/C26H36N2O3/c1-31-22-8-6-7-19-15-20-18-27(14-9-21(20)25(19)22)12-4-5-13-28-23(29)16-26(17-24(28)30)10-2-3-11-26/h6-8,20-21H,2-5,9-18H2,1H3/t20-,21+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.36E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair