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SMILES: Cc1ccccc1NC(N)=NC1C2CC3CC(C2)CC1C3

InChI Key: InChIKey=WKTVGDLWNRLLKO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010795   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50010795
PNG
(CHEMBL81461 | N-Adamantan-2-yl-N'-o-tolyl-guanidin...)
Show SMILES Cc1ccccc1NC(N)=NC1C2CC3CC(C2)CC1C3 |w:10.11,TLB:17:12:20:16.18.15,17:16:11.12.13:20,THB:15:14:11:16.17.18,15:16:11:14.13.20,TEB:10:11:14.13.20:16.17.18,10:11:20:16.18.15,10:11:18:14.20.15,(9.63,-6.99,;9.63,-5.45,;10.95,-4.68,;10.97,-3.14,;9.63,-2.37,;8.31,-3.16,;8.31,-4.7,;6.96,-5.47,;5.63,-4.7,;5.63,-3.16,;4.3,-5.47,;2.96,-4.68,;1.57,-4.12,;1.55,-2.53,;2.6,-1.29,;1.25,-1.78,;1.26,-3.25,;.06,-4.53,;2.58,-3.75,;3.98,-3.41,;3.99,-1.87,)|
Show InChI InChI=1S/C18H25N3/c1-11-4-2-3-5-16(11)20-18(19)21-17-14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,17H,6-10H2,1H3,(H3,19,20,21)
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PubMed
n/an/a 6n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates

J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair