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SMILES: CCc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1

InChI Key: InChIKey=LPZOCVVDSHQFST-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 489366   
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM489366
PNG
(Example 11-2 | US10961242, Compound 79)
Show SMILES CCc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1
Show InChI InChI=1S/C25H27N9O/c1-2-21-20(13-34(31-21)15-24(35)33-8-7-22-23(14-33)30-32-29-22)18-11-26-25(27-12-18)28-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,2,7-10,14-15H2,1H3,(H,26,27,28)(H,29,30,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



LegoChem Biosciences, Inc.

US Patent


Assay Description
Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...

US Patent US10961242 (2021)

More data for this
Ligand-Target Pair