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BDBM193363 US10526329, Compound 226::US9670204, 226 N-(6-(4-((1H-imidazol-2-yl)methyl)piperazin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine

SMILES: CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(Cc2ncc[nH]2)CC1

InChI Key: InChIKey=CHOUEDZBDITYKT-UHFFFAOYSA-N

Data: 4 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 6 hits for monomerid = 193363   
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))
BDBM193363
PNG
(US10526329, Compound 226 | US11072611, Compound 22...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(Cc2ncc[nH]2)CC1
Show InChI InChI=1S/C27H29FN8S/c1-3-22-26(33(2)27-32-23(18-37-27)19-4-6-20(28)7-5-19)36-16-21(8-9-25(36)31-22)35-14-12-34(13-15-35)17-24-29-10-11-30-24/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/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))
BDBM193363
PNG
(US10526329, Compound 226 | US11072611, Compound 22...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(Cc2ncc[nH]2)CC1
Show InChI InChI=1S/C27H29FN8S/c1-3-22-26(33(2)27-32-23(18-37-27)19-4-6-20(28)7-5-19)36-16-21(8-9-25(36)31-22)35-14-12-34(13-15-35)17-24-29-10-11-30-24/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>4.10E+3n/an/an/an/an/an/a



Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.

Curated by ChEMBL


Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay


J Med Chem 60: 7371-7392 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM193363
PNG
(US10526329, Compound 226 | US11072611, Compound 22...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(Cc2ncc[nH]2)CC1
Show InChI InChI=1S/C27H29FN8S/c1-3-22-26(33(2)27-32-23(18-37-27)19-4-6-20(28)7-5-19)36-16-21(8-9-25(36)31-22)35-14-12-34(13-15-35)17-24-29-10-11-30-24/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 50n/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))
BDBM193363
PNG
(US10526329, Compound 226 | US11072611, Compound 22...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(Cc2ncc[nH]2)CC1
Show InChI InChI=1S/C27H29FN8S/c1-3-22-26(33(2)27-32-23(18-37-27)19-4-6-20(28)7-5-19)36-16-21(8-9-25(36)31-22)35-14-12-34(13-15-35)17-24-29-10-11-30-24/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM193363
PNG
(US10526329, Compound 226 | US11072611, Compound 22...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(Cc2ncc[nH]2)CC1
Show InChI InChI=1S/C27H29FN8S/c1-3-22-26(33(2)27-32-23(18-37-27)19-4-6-20(28)7-5-19)36-16-21(8-9-25(36)31-22)35-14-12-34(13-15-35)17-24-29-10-11-30-24/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+3n/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))
BDBM193363
PNG
(US10526329, Compound 226 | US11072611, Compound 22...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(Cc2ncc[nH]2)CC1
Show InChI InChI=1S/C27H29FN8S/c1-3-22-26(33(2)27-32-23(18-37-27)19-4-6-20(28)7-5-19)36-16-21(8-9-25(36)31-22)35-14-12-34(13-15-35)17-24-29-10-11-30-24/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/an/an/an/an/an/a



GALAPAGOS NV

US Patent




US Patent US10526329 (2020)


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