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BDBM354533 2-(4-(2-ethyl-3-((4- (4- fluorophenyl) thiazol-2- yl)(methyl)amino) imidazo[1,2- b]pyridazin-6- yl)piperidin-1-yl)- N,N- dimethylacetamide::US9796719, Compound 202

SMILES: CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N(C)C)CC1

InChI Key: InChIKey=ZDWBDGIKIGNFCX-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 = 354533   
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)
BDBM354533
PNG
(2-(4-(2-ethyl-3-((4- (4- fluorophenyl) thiazol-2- ...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N(C)C)CC1
Show InChI InChI=1S/C27H32FN7OS/c1-5-21-26(33(4)27-30-23(17-37-27)18-6-8-20(28)9-7-18)35-24(29-21)11-10-22(31-35)19-12-14-34(15-13-19)16-25(36)32(2)3/h6-11,17,19H,5,12-16H2,1-4H3
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))
BDBM354533
PNG
(2-(4-(2-ethyl-3-((4- (4- fluorophenyl) thiazol-2- ...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N(C)C)CC1
Show InChI InChI=1S/C27H32FN7OS/c1-5-21-26(33(4)27-30-23(17-37-27)18-6-8-20(28)9-7-18)35-24(29-21)11-10-22(31-35)19-12-14-34(15-13-19)16-25(36)32(2)3/h6-11,17,19H,5,12-16H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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