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BDBM50217180 CHEMBL98388

SMILES: CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3ccc(F)cc3)c2c1

InChI Key: InChIKey=RCLXAPJEFHPYEG-ROUUACIJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50217180   
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 1D


(RAT)		BDBM50217180
PNG
(CHEMBL98388)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3ccc(F)cc3)c2c1
Show InChI InChI=1S/C20H20FNO4/c1-11(23)13-6-9-16-15(10-13)17(18(24)20(2,3)26-16)22-19(25)12-4-7-14(21)8-5-12/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18-/m0/s1
PDB

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PC cid
PC sid
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PubMed
 79n/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