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BDBM50080037 Benzoic acid 4-((S)-2-{(S)-2-[(4-tert-butyl-benzyl)-methyl-amino]-4-methyl-pentanoylamino}-2-tert-butylcarbamoyl-ethyl)-phenyl ester::CHEMBL304309

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

InChI Key: InChIKey=HEPQIDBMXXAHTJ-LQJZCPKCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50080037   
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))		BDBM50080037
PNG
(Benzoic acid 4-((S)-2-{(S)-2-[(4-tert-butyl-benzyl...)
Show SMILES CC(C)C[C@H](N(C)Cc1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C38H51N3O4/c1-26(2)23-33(41(9)25-28-15-19-30(20-16-28)37(3,4)5)35(43)39-32(34(42)40-38(6,7)8)24-27-17-21-31(22-18-27)45-36(44)29-13-11-10-12-14-29/h10-22,26,32-33H,23-25H2,1-9H3,(H,39,43)(H,40,42)/t32-,33-/m0/s1
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 36n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channels in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 2151-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H70F02
More data for this
Ligand-Target Pair