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SMILES: O=C(Cn1cc(cn1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1

InChI Key: InChIKey=ZRPAUEVGEGEPFQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 489336   
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))		BDBM489336
PNG
(Example 8-1 | US10961242, Compound 56)
Show SMILES O=C(Cn1cc(cn1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1
Show InChI InChI=1S/C23H23N9O/c33-22(31-6-5-20-21(13-31)29-30-28-20)14-32-12-18(11-26-32)17-9-24-23(25-10-17)27-19-7-15-3-1-2-4-16(15)8-19/h1-4,9-12,19H,5-8,13-14H2,(H,24,25,27)(H,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/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