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BDBM50400580 CHEMBL2206243

SMILES: CCCn1cnc2c(NCc3cccnc3)nc(N[C@H](CC)CO)nc12

InChI Key: InChIKey=AJLMBJNJQBLZGH-CQSZACIVSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50400580   
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-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))		BDBM50400580
PNG
(CHEMBL2206243)
Show SMILES CCCn1cnc2c(NCc3cccnc3)nc(N[C@H](CC)CO)nc12 |r|
Show InChI InChI=1S/C18H25N7O/c1-3-8-25-12-21-15-16(20-10-13-6-5-7-19-9-13)23-18(24-17(15)25)22-14(4-2)11-26/h5-7,9,12,14,26H,3-4,8,10-11H2,1-2H3,(H2,20,22,23,24)/t14-/m1/s1
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Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method

ACS Med Chem Lett 3: 985-990 (2012)


Article DOI: 10.1021/ml3002083
BindingDB Entry DOI: 10.7270/Q2BC40P0
More data for this
Ligand-Target Pair