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BDBM50400569 CHEMBL2206255

SMILES: CC[C@H](CO)Nc1nc(NC(c2ccccc2)c2ccccc2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=TVKNGTKVRLWUPH-HXUWFJFHSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50400569   
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))		BDBM50400569
PNG
(CHEMBL2206255)
Show SMILES CC[C@H](CO)Nc1nc(NC(c2ccccc2)c2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C25H30N6O/c1-4-20(15-32)27-25-29-23(22-24(30-25)31(16-26-22)17(2)3)28-21(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17,20-21,32H,4,15H2,1-3H3,(H2,27,28,29,30)/t20-/m1/s1
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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