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SMILES: COc1ccccc1N1CCN(CCN(C(=O)[C@H]2CC[C@H](C[18F])CC2)c2ccccn2)CC1

InChI Key:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50590636   
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


(Homo sapiens (Human))		BDBM50590636
PNG
(CHEMBL5199056)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)[C@H]2CC[C@H](C[18F])CC2)c2ccccn2)CC1 |r,wU:20.21,wD:17.17,(-8.67,.39,;-7.33,-.38,;-7.33,-1.92,;-8.67,-2.69,;-8.67,-4.23,;-7.34,-5,;-6,-4.23,;-6,-2.69,;-4.67,-1.92,;-4.67,-.38,;-3.33,.39,;-2,-.38,;-.67,.39,;.67,-.38,;2,.39,;3.33,-.38,;3.33,-1.92,;4.67,.39,;6,-.38,;7.33,.38,;7.33,1.92,;8.67,2.69,;8.67,4.24,;6,2.7,;4.67,1.93,;2,1.93,;.67,2.7,;.67,4.23,;2,5,;3.33,4.24,;3.34,2.7,;-2,-1.92,;-3.33,-2.69,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.900n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00633
BindingDB Entry DOI: 10.7270/Q26M3BS8
More data for this
Ligand-Target Pair