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BDBM354531 3-(3-((4-(4- fluorophenyl) thiazol-2- yl)(methyl)amino)- 6-(1- (methylsulfonyl) piperidin-4- yl)imidazo[1,2- b]pyridazin-2- yl)propan-1-ol::US9796719, Compound 200

SMILES: CN(c1nc(cs1)-c1ccc(F)cc1)c1c(CCCO)nc2ccc(nn12)C1CCN(CC1)S(C)(=O)=O

InChI Key: InChIKey=ZQISHAJVCLGJAE-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 = 354531   
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


(Mus musculus)
BDBM354531
PNG
(3-(3-((4-(4- fluorophenyl) thiazol-2- yl)(methyl)a...)
Show SMILES CN(c1nc(cs1)-c1ccc(F)cc1)c1c(CCCO)nc2ccc(nn12)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H29FN6O3S2/c1-30(25-28-22(16-36-25)17-5-7-19(26)8-6-17)24-21(4-3-15-33)27-23-10-9-20(29-32(23)24)18-11-13-31(14-12-18)37(2,34)35/h5-10,16,18,33H,3-4,11-15H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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))
BDBM354531
PNG
(3-(3-((4-(4- fluorophenyl) thiazol-2- yl)(methyl)a...)
Show SMILES CN(c1nc(cs1)-c1ccc(F)cc1)c1c(CCCO)nc2ccc(nn12)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H29FN6O3S2/c1-30(25-28-22(16-36-25)17-5-7-19(26)8-6-17)24-21(4-3-15-33)27-23-10-9-20(29-32(23)24)18-11-13-31(14-12-18)37(2,34)35/h5-10,16,18,33H,3-4,11-15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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