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SMILES: O=C(N1Cc2nc(oc2C1)C(=O)N1CCc2[nH]nnc2C1)c1cc(OCC2CCOCC2)nc(c1)C1CC1

InChI Key: InChIKey=ZJHNDCLPKWBXMY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 477049   
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))		BDBM477049
PNG
(US10882857, Example 1.01)
Show SMILES O=C(N1Cc2nc(oc2C1)C(=O)N1CCc2[nH]nnc2C1)c1cc(OCC2CCOCC2)nc(c1)C1CC1
Show InChI InChI=1S/C26H29N7O5/c34-25(17-9-19(16-1-2-16)27-23(10-17)37-14-15-4-7-36-8-5-15)33-12-21-22(13-33)38-24(28-21)26(35)32-6-3-18-20(11-32)30-31-29-18/h9-10,15-16H,1-8,11-14H2,(H,29,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock so...

US Patent US10882857 (2021)

More data for this
Ligand-Target Pair