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

InChI Key: InChIKey=OWZASFXHYRZCBP-VMPREFPWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111948   
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))		BDBM50111948
PNG
((R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-phenoxy...)
Show SMILES CC(C)COC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C32H43N3O5S2/c1-23(2)18-39-32(38)35-22-42-21-29(35)31(37)34-28(20-41-19-25-9-5-3-6-10-25)30(36)33-17-24-13-15-27(16-14-24)40-26-11-7-4-8-12-26/h4,7-8,11-16,23,25,28-29H,3,5-6,9-10,17-22H2,1-2H3,(H,33,36)(H,34,37)/t28-,29-/m0/s1
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n/an/a 360n/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