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BDBM50400572 CHEMBL2206252

SMILES: CCCn1cnc2c(NCc3ccc(cc3)C(F)(F)F)nc(N[C@H](CC)CO)nc12

InChI Key: InChIKey=ACTHKEPLJBFNNI-OAHLLOKOSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50400572   
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))		BDBM50400572
PNG
(CHEMBL2206252)
Show SMILES CCCn1cnc2c(NCc3ccc(cc3)C(F)(F)F)nc(N[C@H](CC)CO)nc12 |r|
Show InChI InChI=1S/C20H25F3N6O/c1-3-9-29-12-25-16-17(27-19(28-18(16)29)26-15(4-2)11-30)24-10-13-5-7-14(8-6-13)20(21,22)23/h5-8,12,15,30H,3-4,9-11H2,1-2H3,(H2,24,26,27,28)/t15-/m1/s1
PDB

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PC cid
PC sid
UniChem

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