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BDBM354384 3-(4-(2-ethyl-3-((4- (4- fluorophenyl) thiazol-2- yl)(methyl)amino) imidazo[1,2- b]pyridazin-6- yl)piperazin-1- yl)propanamide::US9796719, Compound 52

SMILES: CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CCC(N)=O)CC1

InChI Key: InChIKey=KCQURCRYNWWCIC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 354384   
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


(Mus musculus)
BDBM354384
PNG
(3-(4-(2-ethyl-3-((4- (4- fluorophenyl) thiazol-2- ...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CCC(N)=O)CC1
Show InChI InChI=1S/C25H29FN8OS/c1-3-19-24(31(2)25-29-20(16-36-25)17-4-6-18(26)7-5-17)34-22(28-19)8-9-23(30-34)33-14-12-32(13-15-33)11-10-21(27)35/h4-9,16H,3,10-15H2,1-2H3,(H2,27,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)


BindingDB Entry DOI: 10.7270/Q2G44SDR
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM354384
PNG
(3-(4-(2-ethyl-3-((4- (4- fluorophenyl) thiazol-2- ...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CCC(N)=O)CC1
Show InChI InChI=1S/C25H29FN8OS/c1-3-19-24(31(2)25-29-20(16-36-25)17-4-6-18(26)7-5-17)34-22(28-19)8-9-23(30-34)33-14-12-32(13-15-33)11-10-21(27)35/h4-9,16H,3,10-15H2,1-2H3,(H2,27,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.05E+3n/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