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BDBM50217178 CHEMBL99341

SMILES: CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3Cl)c2c1

InChI Key: InChIKey=HWEIFQGXMQNOJP-ZWKOTPCHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50217178   
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)		BDBM50217178
PNG
(CHEMBL99341)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3Cl)c2c1
Show InChI InChI=1S/C20H18Cl3NO4/c1-9(25)10-4-5-15-12(6-10)17(18(26)20(2,3)28-15)24-19(27)13-7-11(21)8-14(22)16(13)23/h4-8,17-18,26H,1-3H3,(H,24,27)/t17-,18+/m0/s1
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Similars
PubMed
 32n/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