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BDBM50076108 Benzoic acid 4-{(S)-2-tert-butylcarbamoyl-2-[(S)-2-(butyl-methyl-amino)-4-methyl-pentanoylamino]-ethyl}-phenyl ester::CHEMBL173060

SMILES: CCCCN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C

InChI Key: InChIKey=LYTYYIKVZZVDKE-SVBPBHIXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50076108   
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))		BDBM50076108
PNG
(Benzoic acid 4-{(S)-2-tert-butylcarbamoyl-2-[(S)-2...)
Show SMILES CCCCN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C31H45N3O4/c1-8-9-19-34(7)27(20-22(2)3)29(36)32-26(28(35)33-31(4,5)6)21-23-15-17-25(18-16-23)38-30(37)24-13-11-10-12-14-24/h10-18,22,26-27H,8-9,19-21H2,1-7H3,(H,32,36)(H,33,35)/t26-,27-/m0/s1
PDB

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PC cid
PC sid
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Similars
PubMed
n/an/a 280n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against N-type calcium channel in the IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 907-12 (1999)


BindingDB Entry DOI: 10.7270/Q2D799MZ
More data for this
Ligand-Target Pair