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BDBM50076117 Benzoic acid 4-{(S)-2-tert-butylcarbamoyl-2-[(S)-2-(cyclohexyl-methyl-amino)-4-methyl-pentanoylamino]-ethyl}-phenyl ester::CHEMBL422741

SMILES: CC(C)C[C@H](N(C)C1CCCCC1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C

InChI Key: InChIKey=SXGHLCHUQYYTLS-VMPREFPWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50076117   
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))		BDBM50076117
PNG
(Benzoic acid 4-{(S)-2-tert-butylcarbamoyl-2-[(S)-2...)
Show SMILES CC(C)C[C@H](N(C)C1CCCCC1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H47N3O4/c1-23(2)21-29(36(6)26-15-11-8-12-16-26)31(38)34-28(30(37)35-33(3,4)5)22-24-17-19-27(20-18-24)40-32(39)25-13-9-7-10-14-25/h7,9-10,13-14,17-20,23,26,28-29H,8,11-12,15-16,21-22H2,1-6H3,(H,34,38)(H,35,37)/t28-,29-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 200n/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