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BDBM191867 US10526329, Compound 72::US9670204, 72 N-(2-ethyl-6-(1-(methylsulfonyl)-1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl)-N-methyl-4-(4-(trifluoromethoxy)phenyl)thiazol-2-amine

SMILES: CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(OC(F)(F)F)cc1)C1=CCN(CC1)S(C)(=O)=O

InChI Key: InChIKey=WWGAYPJNYISEMO-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 3 hits for monomerid = 191867   
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))
BDBM191867
PNG
(US10526329, Compound 72 | US11072611, Compound 72 ...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(OC(F)(F)F)cc1)C1=CCN(CC1)S(C)(=O)=O |t:33|
Show InChI InChI=1S/C26H26F3N5O3S2/c1-4-21-24(32(2)25-31-22(16-38-25)18-5-8-20(9-6-18)37-26(27,28)29)34-15-19(7-10-23(34)30-21)17-11-13-33(14-12-17)39(3,35)36/h5-11,15-16H,4,12-14H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/a8.525



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 di...


US Patent US9670204 (2017)


BindingDB Entry DOI: 10.7270/Q2W66HZS
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM191867
PNG
(US10526329, Compound 72 | US11072611, Compound 72 ...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(OC(F)(F)F)cc1)C1=CCN(CC1)S(C)(=O)=O |t:33|
Show InChI InChI=1S/C26H26F3N5O3S2/c1-4-21-24(32(2)25-31-22(16-38-25)18-5-8-20(9-6-18)37-26(27,28)29)34-15-19(7-10-23(34)30-21)17-11-13-33(14-12-17)39(3,35)36/h5-11,15-16H,4,12-14H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM191867
PNG
(US10526329, Compound 72 | US11072611, Compound 72 ...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(OC(F)(F)F)cc1)C1=CCN(CC1)S(C)(=O)=O |t:33|
Show InChI InChI=1S/C26H26F3N5O3S2/c1-4-21-24(32(2)25-31-22(16-38-25)18-5-8-20(9-6-18)37-26(27,28)29)34-15-19(7-10-23(34)30-21)17-11-13-33(14-12-17)39(3,35)36/h5-11,15-16H,4,12-14H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/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 US10526329 (2020)


BindingDB Entry DOI: 10.7270/Q2Z60RGR
More data for this
Ligand-Target Pair