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SMILES: CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-n1cc(CN2CCNCC2)cn1

InChI Key: InChIKey=VHXUBUZJOSUAFP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 123506   
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
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM123506
PNG
(US8748435, 31)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-n1cc(CN2CCNCC2)cn1
Show InChI InChI=1S/C25H31N7/c1-4-24-23(25-28-18(2)13-19(3)32(25)29-24)14-20-5-7-22(8-6-20)31-17-21(15-27-31)16-30-11-9-26-10-12-30/h5-8,13,15,17,26H,4,9-12,14,16H2,1-3H3
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Similars
US Patent
n/an/a 43n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...

US Patent US8748435 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XDK
More data for this
Ligand-Target Pair