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BDBM50078725 (S)-4-Methyl-2-[methyl-(3-methyl-butyl)-amino]-pentanoic acid [(S)-2-(4-benzyloxy-phenyl)-1-tert-butylcarbamoyl-ethyl]-amide::CHEMBL292011

SMILES: CC(C)CCN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C

InChI Key: InChIKey=ORBIOMYKKPXZOT-VMPREFPWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50078725   
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))		BDBM50078725
PNG
((S)-4-Methyl-2-[methyl-(3-methyl-butyl)-amino]-pen...)
Show SMILES CC(C)CCN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C32H49N3O3/c1-23(2)18-19-35(8)29(20-24(3)4)31(37)33-28(30(36)34-32(5,6)7)21-25-14-16-27(17-15-25)38-22-26-12-10-9-11-13-26/h9-17,23-24,28-29H,18-22H2,1-8H3,(H,33,37)(H,34,36)/t28-,29-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro antagonism of N-type voltage sensitive calcium channel in IMR-32 assay using fluorescent [Ca2+] indicator Indo-11 in the presence of 5 micro...

Bioorg Med Chem Lett 9: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2KD1X3X
More data for this
Ligand-Target Pair