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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Voltage-dependent N-type calcium channel subunit alpha-1B' and Ligand = 'BDBM50111950'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50111950
PNG
((R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-methoxy...)
Show SMILES COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C27H40N2O6S2/c1-27(2,3)35-26(32)29-18-37-17-23(29)24(30)28-22(16-36-15-20-8-6-5-7-9-20)25(31)34-14-19-10-12-21(33-4)13-11-19/h10-13,20,22-23H,5-9,14-18H2,1-4H3,(H,28,30)/t22-,23-/m0/s1
PDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 390n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells.

Bioorg Med Chem Lett 12: 915-8 (2002)


BindingDB Entry DOI: 10.7270/Q2D50M83
More data for this
Ligand-Target Pair