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BDBM50024577 CHEMBL3330614

SMILES: Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ncccc2F)c1=O

InChI Key: InChIKey=LSHNFGIERRVFBN-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 50024577   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM50024577
PNG
(CHEMBL3330614)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ncccc2F)c1=O
Show InChI InChI=1S/C17H23FN6O2/c1-21-15(25)13-20-24(17(21)26)8-3-2-7-22-9-11-23(12-10-22)16-14(18)5-4-6-19-16/h4-6,13H,2-3,7-12H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50024577
PNG
(CHEMBL3330614)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ncccc2F)c1=O
Show InChI InChI=1S/C17H23FN6O2/c1-21-15(25)13-20-24(17(21)26)8-3-2-7-22-9-11-23(12-10-22)16-14(18)5-4-6-19-16/h4-6,13H,2-3,7-12H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.800n/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1AR expressed in CHO cells assessed as increase in [35S]GTPgammaS binding by liquid scintillation spectrometry


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair