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Compile Data Set for Download or QSAR

Found 9 hits of ec50 data for polymerid = 7858   
Target
(Institution)
LigandTarget
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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50294836
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3CC[C@H](C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C25H21N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-5,8-12,16-17,30-31H,6-7,13H2,(H,27,29)/t16-,17+
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n/an/an/an/a 200n/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Activity of N-terminus hexaHis-tagged human TNSK2 expressed in Escherichia coli BL21 (DE3) cells using biotinylated NAD+ as substrate after 90 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/an/an/a 200n/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Activity of N-terminus hexaHis-tagged human TNSK2 expressed in Escherichia coli BL21 (DE3) cells using biotinylated NAD+ as substrate after 90 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50294799
PNG
(CHEMBL551249 | N-(4-Bromo-phenyl)-4-((1R,2S,6R,7S)...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C22H17BrN2O3/c23-15-5-7-16(8-6-15)24-20(26)12-3-9-17(10-4-12)25-21(27)18-13-1-2-14(11-13)19(18)22(25)28/h1-10,13-14,27-28H,11H2,(H,24,26)/t13-,14+
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n/an/an/an/a 1.00E+3n/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Activity of N-terminus hexaHis-tagged human TNSK2 expressed in Escherichia coli BL21 (DE3) cells using biotinylated NAD+ as substrate after 90 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50382971
PNG
(CHEMBL2030486)
Show SMILES CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)-n1c(O)c2[C@H]3C[C@H](C=C3)c2c1O
Show InChI InChI=1S/C23H26N2O4/c1-29-18-5-3-2-4-17(18)24-21(26)13-8-10-16(11-9-13)25-22(27)19-14-6-7-15(12-14)20(19)23(25)28/h6-11,14-15,17-18,27-28H,2-5,12H2,1H3,(H,24,26)/t14-,15+,17-,18-/m0/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Activity of N-terminus hexaHis-tagged human TNSK2 expressed in Escherichia coli BL21 (DE3) cells using biotinylated NAD+ as substrate after 90 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/an/an/a 5.00E+3n/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Activity of N-terminus hexaHis-tagged human TNSK2 expressed in Escherichia coli BL21 (DE3) cells using biotinylated NAD+ as substrate after 90 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50294816
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C22H19N3O3/c26-20(24-12-13-7-9-23-10-8-13)14-3-5-17(6-4-14)25-21(27)18-15-1-2-16(11-15)19(18)22(25)28/h1-10,15-16,27-28H,11-12H2,(H,24,26)/t15-,16+
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n/an/an/an/a 1.00E+4n/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Activity of N-terminus hexaHis-tagged human TNSK2 expressed in Escherichia coli BL21 (DE3) cells using biotinylated NAD+ as substrate after 90 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50294813
PNG
(CHEMBL560509 | N-Benzyl-4-((1R,2S,6R,7S)-3,5-dioxo...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C23H20N2O3/c26-21(24-13-14-4-2-1-3-5-14)15-8-10-18(11-9-15)25-22(27)19-16-6-7-17(12-16)20(19)23(25)28/h1-11,16-17,27-28H,12-13H2,(H,24,26)/t16-,17+
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n/an/an/an/a 2.00E+4n/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Activity of N-terminus hexaHis-tagged human TNSK2 expressed in Escherichia coli BL21 (DE3) cells using biotinylated NAD+ as substrate after 90 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50294819
PNG
(CHEMBL564157 | N-Cyclohexyl-4-((1R,2S,6R,7S)-3,5-d...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H24N2O3/c25-20(23-16-4-2-1-3-5-16)13-8-10-17(11-9-13)24-21(26)18-14-6-7-15(12-14)19(18)22(24)27/h6-11,14-16,26-27H,1-5,12H2,(H,23,25)/t14-,15+
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n/an/an/an/a>2.50E+4n/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Activity of N-terminus hexaHis-tagged human TNSK2 expressed in Escherichia coli BL21 (DE3) cells using biotinylated NAD+ as substrate after 90 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50382969
PNG
(CHEMBL2030485)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H18N2O3/c25-20(23-16-4-2-1-3-5-16)13-8-10-17(11-9-13)24-21(26)18-14-6-7-15(12-14)19(18)22(24)27/h1-11,14-15,26-27H,12H2,(H,23,25)/t14-,15+
PDB

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n/an/an/an/a>2.50E+4n/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Activity of N-terminus hexaHis-tagged human TNSK2 expressed in Escherichia coli BL21 (DE3) cells using biotinylated NAD+ as substrate after 90 mins b...


Citation and Details
More data for this
Ligand-Target Pair