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SMILES: O=C(Cn1cc(c(CN2CCc3ccccc3C2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1

InChI Key: InChIKey=DASCDTOWSUDTQE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 489371   
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))		BDBM489371
PNG
(Example 12-5 | US10961242, Compound 84)
Show SMILES O=C(Cn1cc(c(CN2CCc3ccccc3C2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1
Show InChI InChI=1S/C33H34N10O/c44-32(42-12-10-29-31(20-42)38-40-37-29)21-43-18-28(30(39-43)19-41-11-9-22-5-1-4-8-25(22)17-41)26-15-34-33(35-16-26)36-27-13-23-6-2-3-7-24(23)14-27/h1-8,15-16,18,27H,9-14,17,19-21H2,(H,34,35,36)(H,37,38,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.80n/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