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BDBM50217179 CHEMBL95250

SMILES: CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3c(Cl)cccc3Cl)c2c1

InChI Key: InChIKey=YSYJGFABOFVTIV-ZWKOTPCHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50217179   
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


(RAT)		BDBM50217179
PNG
(CHEMBL95250)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3c(Cl)cccc3Cl)c2c1
Show InChI InChI=1S/C20H19Cl2NO4/c1-10(24)11-7-8-15-12(9-11)17(18(25)20(2,3)27-15)23-19(26)16-13(21)5-4-6-14(16)22/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1
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Similars
PubMed
 5.01E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.

Bioorg Med Chem Lett 9: 285-90 (1999)


BindingDB Entry DOI: 10.7270/Q2VD71N3
More data for this
Ligand-Target Pair