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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with Target = 'Terminal deoxynucleotidyltransferase' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50442248
PNG
(CHEMBL2441983)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccccc1F
Show InChI InChI=1S/C17H12FNO5/c18-14-4-2-1-3-13(14)16(22)10-7-11(19-9-10)5-6-12(20)8-15(21)17(23)24/h1-7,9,19H,8H2,(H,23,24)
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400n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human TdT using 3'-OH as substrate


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50442215
PNG
(CHEMBL2441974)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(O)cc2)c2ccccc12
Show InChI InChI=1S/C21H17NO5/c23-16-8-5-14(6-9-16)12-22-13-15(18-3-1-2-4-19(18)22)7-10-17(24)11-20(25)21(26)27/h1-10,13,23H,11-12H2,(H,26,27)
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450n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Competitive inhibition of human TdT using TTP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50442248
PNG
(CHEMBL2441983)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccccc1F
Show InChI InChI=1S/C17H12FNO5/c18-14-4-2-1-3-13(14)16(22)10-7-11(19-9-10)5-6-12(20)8-15(21)17(23)24/h1-7,9,19H,8H2,(H,23,24)
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500n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Competitive inhibition of human TdT using TTP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50442215
PNG
(CHEMBL2441974)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(O)cc2)c2ccccc12
Show InChI InChI=1S/C21H17NO5/c23-16-8-5-14(6-9-16)12-22-13-15(18-3-1-2-4-19(18)22)7-10-17(24)11-20(25)21(26)27/h1-10,13,23H,11-12H2,(H,26,27)
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500n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human TdT using 3'-OH as substrate


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50442209
PNG
(CHEMBL2441980)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C20H16N2O5/c1-2-27-20(26)18(24)10-17(23)8-7-16-9-15(12-22-16)19(25)14-5-3-13(11-21)4-6-14/h3-9,12,22H,2,10H2,1H3
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1.50E+3n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Competitive inhibition of human TdT using TTP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50442209
PNG
(CHEMBL2441980)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C20H16N2O5/c1-2-27-20(26)18(24)10-17(23)8-7-16-9-15(12-22-16)19(25)14-5-3-13(11-21)4-6-14/h3-9,12,22H,2,10H2,1H3
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1.70E+3n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human TdT using 3'-OH as substrate


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50184755
PNG
((3aS,4S,7R,7aR)-1,6-dihexadecyl-2,7-bis(methoxycar...)
Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(O)=O
Show InChI InChI=1S/C46H78O7/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-35-38(44(48)49)41-40(39(36)45(50)52-3)37(42(43(41)47)46(51)53-4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h35,38-41H,5-34H2,1-4H3,(H,48,49)/t38-,39-,40-,41+/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human TdT


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50143524
PNG
((3aR,4R,7R,7aS)-3,5-Dihexadecyl-3a,4,7,7a-tetrahyd...)
Show SMILES CCCCCCCCCCCCCCCCC1=C(C[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C45H78O6/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-34-39(43(46)47)38-35-40(44(48)49)37(42(38)41(36)45(50)51-3)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34,38-39,41-42H,4-33,35H2,1-3H3,(H,46,47)(H,48,49)/t38-,39+,41+,42-/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human terminal deoxynucleotidyltransferase


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50184758
PNG
((3aS,4S,7R,7aR)-1,6-didodecyl-2,7-bis(methoxycarbo...)
Show SMILES CCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCC)=C[C@@H]2C(O)=O
Show InChI InChI=1S/C38H62O7/c1-5-7-9-11-13-15-17-19-21-23-25-28-27-30(36(40)41)33-32(31(28)37(42)44-3)29(34(35(33)39)38(43)45-4)26-24-22-20-18-16-14-12-10-8-6-2/h27,30-33H,5-26H2,1-4H3,(H,40,41)/t30-,31-,32-,33+/m0/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human TdT


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50184761
PNG
((3aR,4R,7S,7aS)-dimethyl 3,5-dihexadecyl-1-oxo-7-(...)
Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)NCCc1ccccc1
Show InChI InChI=1S/C54H87NO6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-44-42-46(52(57)55-41-40-43-36-32-31-33-37-43)49-48(47(44)53(58)60-3)45(50(51(49)56)54(59)61-4)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h31-33,36-37,42,46-49H,5-30,34-35,38-41H2,1-4H3,(H,55,57)/t46-,47-,48-,49+/m0/s1
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n/an/a>1.25E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human TdT


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50184753
PNG
((1R,1bR,2R,5S,5aS)-1a,3-dihexadecyl-6-oxo-1a,1b,2,...)
Show SMILES CCCCCCCCCCCCCCCCC1=C[C@@H]([C@@H]2[C@H]([C@H]1C(=O)OC)[C@@]1(CCCCCCCCCCCCCCCC)C[C@@]1(C(=O)OC)C2=O)C(=O)OC
Show InChI InChI=1S/C48H82O7/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-36-39(44(50)53-3)41-42(40(38)45(51)54-4)47(37-48(47,43(41)49)46(52)55-5)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36,39-42H,6-35,37H2,1-5H3/t39-,40-,41+,42-,47+,48-/m0/s1
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n/an/a>1.25E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human TdT


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50143526
PNG
(CHEMBL366792 | Untenone A)
Show SMILES CCCCCCCCCCCCCCCC[C@]1(O)C=CC(=O)[C@H]1C(=O)OC
Show InChI InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(26)19-17-20(24)21(23)22(25)27-2/h17,19,21,26H,3-16,18H2,1-2H3/t21-,23-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human terminal deoxynucleotidyltransferase


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50143528
PNG
((1S,2S)-2-Hexadecyl-2-methoxymethoxy-5-oxo-cyclope...)
Show SMILES CCCCCCCCCCCCCCCC[C@]1(OCOC)C=CC(=O)[C@H]1C(=O)OC
Show InChI InChI=1S/C25H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25(30-21-28-2)20-18-22(26)23(25)24(27)29-3/h18,20,23H,4-17,19,21H2,1-3H3/t23-,25-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human terminal deoxynucleotidyltransferase


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50184752
PNG
((3aS,4S,7R,7aR)-1,6-dihexadecyl-2,7-bis(isopropoxy...)
Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC(C)C)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC(C)C)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(O)=O
Show InChI InChI=1S/C50H86O7/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-37-42(48(52)53)45-44(43(40)49(54)56-38(3)4)41(46(47(45)51)50(55)57-39(5)6)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h37-39,42-45H,7-36H2,1-6H3,(H,52,53)/t42-,43-,44-,45+/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human TdT


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50184748
PNG
((2S,3S,4R)-methyl 2-ethyl-4-hydroxy-5-(2-oxononade...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@H](CC)N1CCc1ccccc1)C(=O)OC
Show InChI InChI=1S/C35H57NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-30(37)28-32-34(38)33(35(39)40-3)31(5-2)36(32)27-26-29-23-20-19-21-24-29/h19-21,23-24,28,31,33-34,38H,4-18,22,25-27H2,1-3H3/t31-,33-,34-/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human TdT


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50184757
PNG
((3aR,4R,7S,7aS)-7-ethyl 2,4-dimethyl 3,5-dihexadec...)
Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)OCC
Show InChI InChI=1S/C48H82O7/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-40(46(50)55-8-3)43-42(41(38)47(51)53-4)39(44(45(43)49)48(52)54-5)36-34-32-30-28-26-24-22-20-18-16-14-12-10-7-2/h37,40-43H,6-36H2,1-5H3/t40-,41-,42-,43+/m0/s1
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n/an/a 3.97E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human TdT


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50184756
PNG
((3aR,4S,7S,7aS)-7-ethyl 2,4-dimethyl 3,5-dihexadec...)
Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)OCC
Show InChI InChI=1S/C48H82O7/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-40(46(50)55-8-3)43-42(41(38)47(51)53-4)39(44(45(43)49)48(52)54-5)36-34-32-30-28-26-24-22-20-18-16-14-12-10-7-2/h37,40-43H,6-36H2,1-5H3/t40-,41+,42-,43+/m0/s1
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n/an/a 4.84E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human TdT


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50184749
PNG
((2S,3S,4R)-methyl 1-benzyl-2-ethyl-4-hydroxy-5-(2-...)
Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@H](CC)N1Cc1ccccc1)C(=O)OC
Show InChI InChI=1S/C29H45NO4/c1-4-6-7-8-9-10-11-12-13-17-20-24(31)21-26-28(32)27(29(33)34-3)25(5-2)30(26)22-23-18-15-14-16-19-23/h14-16,18-19,21,25,27-28,32H,4-13,17,20,22H2,1-3H3/t25-,27-,28-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human TdT


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50184763
PNG
((3aS,4S,7R,7aR)-1,6-diethyl-2,7-bis(methoxycarbony...)
Show SMILES CCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CC)=C[C@@H]2C(O)=O
Show InChI InChI=1S/C18H22O7/c1-5-8-7-10(16(20)21)13-12(11(8)17(22)24-3)9(6-2)14(15(13)19)18(23)25-4/h7,10-13H,5-6H2,1-4H3,(H,20,21)/t10-,11-,12-,13+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human TdT


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50184750
PNG
((2R,3S,4R)-4-hydroxy-5-[2-oxo-nonadec-ylidene]-1-p...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@@H](N1CCc1ccccc1)c1ccccc1)C(=O)OC
Show InChI InChI=1S/C39H57NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-34(41)31-35-38(42)36(39(43)44-2)37(33-26-21-18-22-27-33)40(35)30-29-32-24-19-17-20-25-32/h17-22,24-27,31,36-38,42H,3-16,23,28-30H2,1-2H3/t36-,37-,38-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human TdT


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50184760
PNG
((2S,3S,4S)-methyl 1-benzyl-2-ethyl-4-hydroxy-5-(2-...)
Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@@H](O)[C@H]([C@H](CC)N1Cc1ccccc1)C(=O)OC
Show InChI InChI=1S/C29H45NO4/c1-4-6-7-8-9-10-11-12-13-17-20-24(31)21-26-28(32)27(29(33)34-3)25(5-2)30(26)22-23-18-15-14-16-19-23/h14-16,18-19,21,25,27-28,32H,4-13,17,20,22H2,1-3H3/t25-,27-,28+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human TdT


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50184751
PNG
((2S,3S,4R)-methyl 2-ethyl-4-hydroxy-5-(2-oxotetrad...)
Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@H](CC)N1CCc1ccccc1)C(=O)OC
Show InChI InChI=1S/C30H47NO4/c1-4-6-7-8-9-10-11-12-13-17-20-25(32)23-27-29(33)28(30(34)35-3)26(5-2)31(27)22-21-24-18-15-14-16-19-24/h14-16,18-19,23,26,28-29,33H,4-13,17,20-22H2,1-3H3/t26-,28-,29-/m0/s1
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human TdT


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50184759
PNG
((2R,3S,4R)-methyl 1-(2-(1H-indol-3-yl)ethyl)-4-hyd...)
Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@@H](N1CCc1c[nH]c2ccccc12)c1ccccc1)C(=O)OC
Show InChI InChI=1S/C36H48N2O4/c1-3-4-5-6-7-8-9-10-11-15-20-29(39)25-32-35(40)33(36(41)42-2)34(27-18-13-12-14-19-27)38(32)24-23-28-26-37-31-22-17-16-21-30(28)31/h12-14,16-19,21-22,25-26,33-35,37,40H,3-11,15,20,23-24H2,1-2H3/t33-,34-,35-/m0/s1
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human TdT


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50143527
PNG
((1R,2S)-2-Hexadecyl-5-oxo-cyclopent-3-enecarboxyli...)
Show SMILES CCCCCCCCCCCCCCCC[C@H]1C=CC(=O)[C@@H]1C(=O)OC
Show InChI InChI=1S/C23H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19-21(24)22(20)23(25)26-2/h18-20,22H,3-17H2,1-2H3/t20-,22+/m0/s1
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n/an/a 8.40E+4n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human terminal deoxynucleotidyltransferase


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50143523
PNG
(2-Hexadecyl-5-oxo-cyclopent-1-enecarboxylic acid m...)
Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)CC1
Show InChI InChI=1S/C23H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19-21(24)22(20)23(25)26-2/h3-19H2,1-2H3
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n/an/a 1.29E+5n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human terminal deoxynucleotidyltransferase


Citation and Details
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50143525
PNG
((R)-4-Hexadecyl-4-hydroxy-cyclopent-2-enone | CHEM...)
Show SMILES CCCCCCCCCCCCCCCC[C@@]1(O)CC(=O)C=C1
Show InChI InChI=1S/C21H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21(23)18-16-20(22)19-21/h16,18,23H,2-15,17,19H2,1H3/t21-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human terminal deoxynucleotidyltransferase


Citation and Details
More data for this
Ligand-Target Pair