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SMILES: OCCN1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=JDFDKOKANRVRAK-SVBPBHIXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111938   
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))		BDBM50111938
PNG
((R)-3-(2-Hydroxy-ethyl)-thiazolidine-4-carboxylic ...)
Show SMILES OCCN1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H39N3O4S2/c33-16-15-32-21-38-20-27(32)29(35)31-26(19-37-18-23-7-3-1-4-8-23)28(34)30-17-22-11-13-25(14-12-22)36-24-9-5-2-6-10-24/h2,5-6,9-14,23,26-27,33H,1,3-4,7-8,15-21H2,(H,30,34)(H,31,35)/t26-,27-/m0/s1
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PubMed
n/an/a 350n/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