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BDBM50453311 CHEMBL2079596

SMILES: [H][C@]12Cc3cccc(OC)c3[C@]1([H])CCN(CCCN1C(=O)CC3(CCCC3)CC1=O)C2

InChI Key: InChIKey=MHYIRHUYYCXFSJ-WOJBJXKFSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50453311   
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 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50453311
PNG
(CHEMBL2079596)
Show SMILES COc1cccc2C[C@@H]3CN(CCCN4C(=O)CC5(CCCC5)CC4=O)CC[C@H]3c12
Show InChI InChI=1S/C25H34N2O3/c1-30-21-7-4-6-18-14-19-17-26(13-8-20(19)24(18)21)11-5-12-27-22(28)15-25(16-23(27)29)9-2-3-10-25/h4,6-7,19-20H,2-3,5,8-17H2,1H3/t19-,20-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.36E+3n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50453311
PNG
(CHEMBL2079596)
Show SMILES COc1cccc2C[C@@H]3CN(CCCN4C(=O)CC5(CCCC5)CC4=O)CC[C@H]3c12
Show InChI InChI=1S/C25H34N2O3/c1-30-21-7-4-6-18-14-19-17-26(13-8-20(19)24(18)21)11-5-12-27-22(28)15-25(16-23(27)29)9-2-3-10-25/h4,6-7,19-20H,2-3,5,8-17H2,1H3/t19-,20-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
51n/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