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BDBM50145330 CHEMBL310121::[2-(3-Bromo-phenyl)-ethyl]-{(S)-1-[6-(3-trifluoromethyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yloxymethyl)-pyridin-2-yl]-ethyl}-amine

SMILES: C[C@H](NCCc1cccc(Br)c1)c1cccc(COc2nn3c(nnc3c3ccccc23)C(F)(F)F)n1

InChI Key: InChIKey=SEPRFJGTZLHOFO-INIZCTEOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50145330   
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
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50145330
PNG
(CHEMBL310121 | [2-(3-Bromo-phenyl)-ethyl]-{(S)-1-[...)
Show SMILES C[C@H](NCCc1cccc(Br)c1)c1cccc(COc2nn3c(nnc3c3ccccc23)C(F)(F)F)n1
Show InChI InChI=1S/C26H22BrF3N6O/c1-16(31-13-12-17-6-4-7-18(27)14-17)22-11-5-8-19(32-22)15-37-24-21-10-3-2-9-20(21)23-33-34-25(26(28,29)30)36(23)35-24/h2-11,14,16,31H,12-13,15H2,1H3/t16-/m0/s1
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PubMed
n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against alpha2 delta-1 subunit of voltage-gated calcium channel in human.

Bioorg Med Chem Lett 14: 2463-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.008
BindingDB Entry DOI: 10.7270/Q23X876G
More data for this
Ligand-Target Pair