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BDBM354437 N-((1-(2-ethyl-3- ((4-(4- fluorophenyl) thiazol-2- yl)(methyl)amino) imidazo[1,2- b]pyridazin-6- yl)piperidin-4- yl)methyl) methanesulfonamide::US9796719, Compound 105

SMILES: CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCC(CNS(C)(=O)=O)CC1

InChI Key: InChIKey=COQNVMMWBCFKET-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 354437   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM354437
PNG
(N-((1-(2-ethyl-3- ((4-(4- fluorophenyl) thiazol-2-...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCC(CNS(C)(=O)=O)CC1
Show InChI InChI=1S/C25H30FN7O2S2/c1-4-20-24(31(2)25-29-21(16-36-25)18-5-7-19(26)8-6-18)33-22(28-20)9-10-23(30-33)32-13-11-17(12-14-32)15-27-37(3,34)35/h5-10,16-17,27H,4,11-15H2,1-3H3
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
Compound IC50 values are determined in a fluorescent hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using the fluorogenic autotax...


US Patent US9796719 (2017)


BindingDB Entry DOI: 10.7270/Q2G44SDR
More data for this
Ligand-Target Pair