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There are 12 purchasable compounds for target: ATP-dependent DNA ligase

Wt: 334.4
BDBM23120
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Wt: 191.1
BDBM22826
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Wt: 543.5
BDBM22984
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Wt: 319.8
BDBM22985
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Wt: 348.3
BDBM50008923
Purchase
Wt: 309.6
BDBM50262037
Purchase
Wt: 475.3
BDBM50262038
Purchase
Wt: 174.2
BDBM50261993
Purchase
Wt: 289.6
BDBM50261994
Purchase
Wt: 270.2
BDBM50262040
Wt: 310.3
BDBM50262041
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Wt: 214.2
BDBM50262042
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 23120,22826,22984,22985,50008923,50262037,50262038,50261993,50261994,50262040,50262041,50262042   
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
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23120
PNG
(7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]hepta...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C21H22N2O2/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2
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PubMed
4.70 -11.4 2n/an/an/an/an/a25



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
DNA Ligase I


(Homo sapiens (human))
BDBM22826
PNG
(2,3-dioxo-2,3-dihydro-1H-indole-7-carboxylic acid ...)
Show SMILES OC(=O)c1cccc2C(=O)C(=O)Nc12
Show InChI InChI=1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12)
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PubMed
4.00E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA ligase 1 using nicked DNA substrate by kinetic assay


J Med Chem 51: 4553-62 (2008)


Article DOI: 10.1021/jm8001668
BindingDB Entry DOI: 10.7270/Q2639PJC
More data for this
Ligand-Target Pair
Bacteriophage T4 DNA Ligase


(Bacteriophage T4)
BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
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PubMed
n/an/a 1.60E+6n/an/an/an/a7.625



India Central Drug Research Institute



Assay Description
The assay was performed using a 40-bp double-stranded DNA substrate carrying a single-strand nick between bases 22 and 23. The reaction products were...


Proteins 69: 97-111 (2007)


Article DOI: 10.1002/prot.21457
BindingDB Entry DOI: 10.7270/Q2P55KSS
More data for this
Ligand-Target Pair
Bacteriophage T4 DNA Ligase


(Bacteriophage T4)
BDBM50008923
PNG
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of T4 ligase from bacteriophage infected Escherichia coli assessed as ligation of supercoiled pBR322 DNA


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
Bacteriophage T4 DNA Ligase


(Bacteriophage T4)
BDBM22984
PNG
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of T4 ligase from bacteriophage infected Escherichia coli assessed as ligation of supercoiled pBR322 DNA


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
DNA Ligase I


(Homo sapiens (human))
BDBM50262037
PNG
(5-(2-(4-hydroxy-3-nitrobenzylidene)hydrazinyl)-4-c...)
Show SMILES Oc1ccc(CN=Nc2cn[nH]c(=O)c2Cl)cc1[N+]([O-])=O
Show InChI InChI=1S/C11H8ClN5O4/c12-10-7(5-14-16-11(10)19)15-13-4-6-1-2-9(18)8(3-6)17(20)21/h1-3,5,18H,4H2,(H,16,19)
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PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay


J Med Chem 51: 4553-62 (2008)


Article DOI: 10.1021/jm8001668
BindingDB Entry DOI: 10.7270/Q2639PJC
More data for this
Ligand-Target Pair
DNA Ligase I


(Homo sapiens (human))
BDBM50261993
PNG
(5-(methylthio)thiophene-2-carboxylic acid | CHEMBL...)
Show SMILES CSc1ccc(s1)C(O)=O
Show InChI InChI=1S/C6H6O2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H,7,8)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay


J Med Chem 51: 4553-62 (2008)


Article DOI: 10.1021/jm8001668
BindingDB Entry DOI: 10.7270/Q2639PJC
More data for this
Ligand-Target Pair
DNA Ligase I


(Homo sapiens (human))
BDBM50262042
PNG
((2-hydroxyphenyl)(4-hydroxyphenyl)methanone | CHEM...)
Show SMILES Oc1ccc(cc1)C(=O)c1ccccc1O
Show InChI InChI=1S/C13H10O3/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,14-15H
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PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay


J Med Chem 51: 4553-62 (2008)


Article DOI: 10.1021/jm8001668
BindingDB Entry DOI: 10.7270/Q2639PJC
More data for this
Ligand-Target Pair
DNA Ligase I


(Homo sapiens (human))
BDBM50262041
PNG
(5-(((5-carboxy-2-methylfuran-3-yl)methylthio)methy...)
Show SMILES Cc1oc(cc1CSCc1cc(C(O)=O)c(C)o1)C(O)=O
Show InChI InChI=1S/C14H14O6S/c1-7-9(3-12(20-7)14(17)18)5-21-6-10-4-11(13(15)16)8(2)19-10/h3-4H,5-6H2,1-2H3,(H,15,16)(H,17,18)
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n/an/a 600n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay


J Med Chem 51: 4553-62 (2008)


Article DOI: 10.1021/jm8001668
BindingDB Entry DOI: 10.7270/Q2639PJC
More data for this
Ligand-Target Pair
DNA Ligase I


(Homo sapiens (human))
BDBM50262040
PNG
(7-(4-methoxyphenyl)pteridine-2,4-diol | CHEMBL5112...)
Show SMILES COc1ccc(cc1)-c1cnc2c(n1)[nH]c(=O)[nH]c2=O
Show InChI InChI=1S/C13H10N4O3/c1-20-8-4-2-7(3-5-8)9-6-14-10-11(15-9)16-13(19)17-12(10)18/h2-6H,1H3,(H2,15,16,17,18,19)
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay


J Med Chem 51: 4553-62 (2008)


Article DOI: 10.1021/jm8001668
BindingDB Entry DOI: 10.7270/Q2639PJC
More data for this
Ligand-Target Pair
DNA Ligase I


(Homo sapiens (human))
BDBM50262038
PNG
(3-(4-Bromo-benzenesulfonyl)-N-[2-(4-sulfamoyl-phen...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C17H19BrN2O5S2/c18-14-3-7-15(8-4-14)26(22,23)12-10-17(21)20-11-9-13-1-5-16(6-2-13)27(19,24)25/h1-8H,9-12H2,(H,20,21)(H2,19,24,25)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay


J Med Chem 51: 4553-62 (2008)


Article DOI: 10.1021/jm8001668
BindingDB Entry DOI: 10.7270/Q2639PJC
More data for this
Ligand-Target Pair
DNA Ligase I


(Homo sapiens (human))
BDBM50261994
PNG
(2-(7-chloro-4-nitrobenzo[c][1,2,5]oxadiazol-5-ylth...)
Show SMILES OC(=O)CSc1cc(Cl)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C8H4ClN3O5S/c9-3-1-4(18-2-5(13)14)8(12(15)16)7-6(3)10-17-11-7/h1H,2H2,(H,13,14)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay


J Med Chem 51: 4553-62 (2008)


Article DOI: 10.1021/jm8001668
BindingDB Entry DOI: 10.7270/Q2639PJC
More data for this
Ligand-Target Pair
DNA Ligase I


(Homo sapiens (human))
BDBM22826
PNG
(2,3-dioxo-2,3-dihydro-1H-indole-7-carboxylic acid ...)
Show SMILES OC(=O)c1cccc2C(=O)C(=O)Nc12
Show InChI InChI=1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12)
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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay


J Med Chem 51: 4553-62 (2008)


Article DOI: 10.1021/jm8001668
BindingDB Entry DOI: 10.7270/Q2639PJC
More data for this
Ligand-Target Pair
Bacteriophage T4 DNA Ligase


(Bacteriophage T4)
BDBM22984
PNG
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
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PubMed
n/an/a 3.00E+3n/an/an/an/a7.625



India Central Drug Research Institute



Assay Description
The assay was performed using a 40-bp double-stranded DNA substrate carrying a single-strand nick between bases 22 and 23. The reaction products were...


J Biol Chem 280: 30273-81 (2005)


Article DOI: 10.1074/jbc.M503780200
BindingDB Entry DOI: 10.7270/Q2SX6BGR
More data for this
Ligand-Target Pair
Bacteriophage T4 DNA Ligase


(Bacteriophage T4)
BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
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n/an/a 1.60E+6n/an/an/an/a7.625



India Central Drug Research Institute



Assay Description
The assay was performed using a 40-bp double-stranded DNA substrate carrying a single-strand nick between bases 22 and 23. The reaction products were...


J Biol Chem 280: 30273-81 (2005)


Article DOI: 10.1074/jbc.M503780200
BindingDB Entry DOI: 10.7270/Q2SX6BGR
More data for this
Ligand-Target Pair