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SMILES: Oc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1

InChI Key: InChIKey=MGGVALXERJRIRO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 489347   
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))		BDBM489347
PNG
(Example 10-5 | US10961242, Compound 65)
Show SMILES Oc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1
Show InChI InChI=1S/C23H23N9O2/c33-21(31-6-5-19-20(12-31)28-30-27-19)13-32-11-18(22(34)29-32)16-9-24-23(25-10-16)26-17-7-14-3-1-2-4-15(14)8-17/h1-4,9-11,17H,5-8,12-13H2,(H,29,34)(H,24,25,26)(H,27,28,30)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<1.56n/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