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

Wt: 334.4
BDBM23120
Purchase
Wt: 191.1
BDBM22826
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Wt: 543.5
BDBM22984
Purchase
Wt: 319.8
BDBM22985
Purchase
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
4.70n/a 2n/an/an/an/an/an/a



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)

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)

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)

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


Citation and Details
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


Citation and Details
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)

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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PubMed
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)

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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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)

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)

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)

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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PubMed
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)

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)

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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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)

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)

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...


J Biol Chem 280: 30273-81 (2005)

More data for this
Ligand-Target Pair