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SMILES: COC1(CCOCC1)c1ccc(NC(=O)C2CCc3cc(F)cc(-c4c(C)nn(C)c4C)c3O2)cn1

InChI Key: InChIKey=MKTSLYJQUBOCAI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50306591   
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 1B


(Homo sapiens (Human))		BDBM50306591
PNG
(6-Fluoro-N-(6-(4-methoxytetrahydro-2H-pyran-4-yl)p...)
Show SMILES COC1(CCOCC1)c1ccc(NC(=O)C2CCc3cc(F)cc(-c4c(C)nn(C)c4C)c3O2)cn1 |(8.7,-32.23,;7.37,-33.01,;7.39,-34.56,;7.39,-36.1,;8.72,-36.86,;10.06,-36.09,;10.05,-34.55,;8.71,-33.78,;6.06,-33.8,;4.72,-34.57,;3.39,-33.8,;3.39,-32.26,;2.06,-31.5,;.73,-32.27,;.73,-33.81,;-.61,-31.5,;-.62,-29.96,;-1.96,-29.19,;-3.29,-29.97,;-4.62,-29.2,;-5.95,-29.98,;-7.29,-29.21,;-5.95,-31.52,;-4.62,-32.29,;-4.62,-33.84,;-3.38,-34.74,;-1.91,-34.27,;-3.85,-36.21,;-5.39,-36.21,;-6.3,-37.46,;-5.87,-34.75,;-7.33,-34.27,;-3.28,-31.52,;-1.94,-32.28,;4.71,-31.49,;6.05,-32.25,)|
Show InChI InChI=1S/C27H31FN4O4/c1-16-24(17(2)32(3)31-16)21-14-19(28)13-18-5-7-22(36-25(18)21)26(33)30-20-6-8-23(29-15-20)27(34-4)9-11-35-12-10-27/h6,8,13-15,22H,5,7,9-12H2,1-4H3,(H,30,33)
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PC cid
PC sid
UniChem
Article
PubMed
 0.960n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1B receptor expressed in CHO cells

J Med Chem 53: 1876-80 (2010)


Article DOI: 10.1021/jm901200t
BindingDB Entry DOI: 10.7270/Q25D8RZ0
More data for this
Ligand-Target Pair