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BDBM50076113 Benzoic acid 4-{(S)-2-tert-butylcarbamoyl-2-[(S)-2-(ethoxycarbonylmethyl-methyl-amino)-4-methyl-pentanoylamino]-ethyl}-phenyl ester::CHEMBL171442

SMILES: CCOC(=O)CN(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=CHUZLEXYSBWIHZ-UIOOFZCWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50076113   
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))		BDBM50076113
PNG
(Benzoic acid 4-{(S)-2-tert-butylcarbamoyl-2-[(S)-2...)
Show SMILES CCOC(=O)CN(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/C31H43N3O6/c1-8-39-27(35)20-34(7)26(18-21(2)3)29(37)32-25(28(36)33-31(4,5)6)19-22-14-16-24(17-15-22)40-30(38)23-12-10-9-11-13-23/h9-17,21,25-26H,8,18-20H2,1-7H3,(H,32,37)(H,33,36)/t25-,26-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.40E+3n/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