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SMILES: COC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=MSVUKWDNJDHRDD-UIOOFZCWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111944   
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))		BDBM50111944
PNG
((R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-phenoxy...)
Show SMILES COC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H37N3O5S2/c1-36-29(35)32-20-39-19-26(32)28(34)31-25(18-38-17-22-8-4-2-5-9-22)27(33)30-16-21-12-14-24(15-13-21)37-23-10-6-3-7-11-23/h3,6-7,10-15,22,25-26H,2,4-5,8-9,16-20H2,1H3,(H,30,33)(H,31,34)/t25-,26-/m0/s1
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PubMed
n/an/a 120n/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