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Compile Data Set for Download or QSAR

Found 1 hit of ic50 data for polymerid = 50002143   
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
Vesicular glutamate transporter 3


(Rattus norvegicus)		BDBM50113315
PNG
(5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3...)
Show SMILES CC(C)C1N2CC(NC(=O)C3CN(C)C4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(OC2C2(O)CCCN2C1=O)C(C)C |c:26|
Show InChI InChI=1S/C31H40BrN5O4/c1-16(2)25-28(39)37-11-7-10-31(37,40)29-36(25)15-30(41-29,17(3)4)34-27(38)18-12-20-19-8-6-9-22-24(19)21(26(32)33-22)13-23(20)35(5)14-18/h6,8-9,12,16-18,23,25,29,33,40H,7,10-11,13-15H2,1-5H3,(H,34,38)
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PC cid
PC sid
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PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Compound was evaluated for competitive inhibition against Vesicular glutamate transporter (VGLUT), and Ki value was reported.

J Med Chem 45: 2260-76 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3FRR
More data for this
Ligand-Target Pair