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SMILES: CCc1nc2ccc(cn2c1N(C)c1nc(ns1)-c1ccc(Cl)cc1)N1CCN(CC1)S(C)(=O)=O

InChI Key: InChIKey=WZBGCAPUOXTTLF-UHFFFAOYSA-N

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 4 hits for monomerid = 426550   
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))
BDBM426550
PNG
(US10526329, Compound 188 | US11072611, Compound 18...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(ns1)-c1ccc(Cl)cc1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H26ClN7O2S2/c1-4-19-22(28(2)23-26-21(27-34-23)16-5-7-17(24)8-6-16)31-15-18(9-10-20(31)25-19)29-11-13-30(14-12-29)35(3,32)33/h5-10,15H,4,11-14H2,1-3H3
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))
BDBM426550
PNG
(US10526329, Compound 188 | US11072611, Compound 18...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(ns1)-c1ccc(Cl)cc1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H26ClN7O2S2/c1-4-19-22(28(2)23-26-21(27-34-23)16-5-7-17(24)8-6-16)31-15-18(9-10-20(31)25-19)29-11-13-30(14-12-29)35(3,32)33/h5-10,15H,4,11-14H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q241716Z
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM426550
PNG
(US10526329, Compound 188 | US11072611, Compound 18...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(ns1)-c1ccc(Cl)cc1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H26ClN7O2S2/c1-4-19-22(28(2)23-26-21(27-34-23)16-5-7-17(24)8-6-16)31-15-18(9-10-20(31)25-19)29-11-13-30(14-12-29)35(3,32)33/h5-10,15H,4,11-14H2,1-3H3
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

BindingDB Entry DOI: 10.7270/Q241716Z
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM426550
PNG
(US10526329, Compound 188 | US11072611, Compound 18...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(ns1)-c1ccc(Cl)cc1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H26ClN7O2S2/c1-4-19-22(28(2)23-26-21(27-34-23)16-5-7-17(24)8-6-16)31-15-18(9-10-20(31)25-19)29-11-13-30(14-12-29)35(3,32)33/h5-10,15H,4,11-14H2,1-3H3
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