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

InChI Key: InChIKey=RFGNDCUXXPPEAD-NSOVKSMOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111949   
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))		BDBM50111949
PNG
((R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-phenoxy...)
Show SMILES C=CCOC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C31H39N3O5S2/c1-2-17-38-31(37)34-22-41-21-28(34)30(36)33-27(20-40-19-24-9-5-3-6-10-24)29(35)32-18-23-13-15-26(16-14-23)39-25-11-7-4-8-12-25/h2,4,7-8,11-16,24,27-28H,1,3,5-6,9-10,17-22H2,(H,32,35)(H,33,36)/t27-,28-/m0/s1
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PubMed
n/an/a 330n/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