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SMILES: CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(NCc2ccccn2)cc1

InChI Key: InChIKey=QMDYJQBTCSAHBJ-XIFFEERXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50080312   
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-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080312
PNG
(Azepane-1-carboxylic acid {3-methyl-1-[4-((3-methy...)
Show SMILES CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(NCc2ccccn2)cc1
Show InChI InChI=1S/C35H54N6O2/c1-27(2)16-24-41(31-14-12-29(13-15-31)37-26-30-11-7-8-19-36-30)32-17-22-39(23-18-32)34(42)33(25-28(3)4)38-35(43)40-20-9-5-6-10-21-40/h7-8,11-15,19,27-28,32-33,37H,5-6,9-10,16-18,20-26H2,1-4H3,(H,38,43)/t33-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair