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20 similar compounds to monomer 50259303

Compile data set for download or QSAR
Wt: 404.4
BDBM50259309		Wt: 344.3
BDBM50259307		Wt: 332.3
BDBM50259293		Wt: 453.4
BDBM50259294		Wt: 464.9
BDBM50259295
Wt: 335.3
BDBM50259296		Wt: 316.3
BDBM50259299		Wt: 279.0
BDBM50259301		Wt: 286.3
BDBM50259298		Wt: 328.3
BDBM50259305
Wt: 418.4
BDBM50259304		Wt: 266.2
BDBM50259302		Wt: 289.1
BDBM50259297		Wt: 478.5
BDBM50259247		Wt: 276.2
BDBM50259300
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50259309,50259307,50259293,50259294,50259295,50259296,50259299,50259301,50259298,50259305,50259304,50259302,50259297,50259247,50259300   
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
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50259293
PNG
(CHEMBL4063170)
Show SMILES O=C(\C=C\c1ccccc1)c1ccc(OCCCc2c[nH]cn2)cc1
Show InChI InChI=1S/C21H20N2O2/c24-21(13-8-17-5-2-1-3-6-17)18-9-11-20(12-10-18)25-14-4-7-19-15-22-16-23-19/h1-3,5-6,8-13,15-16H,4,7,14H2,(H,22,23)/b13-8+
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 8.30n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Antagonist activity at H3 receptor (unknown origin)

Eur J Med Chem 125: 565-572 (2017)


BindingDB Entry DOI: 10.7270/Q20C4Z66
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))		BDBM50259293
PNG
(CHEMBL4063170)
Show SMILES O=C(\C=C\c1ccccc1)c1ccc(OCCCc2c[nH]cn2)cc1
Show InChI InChI=1S/C21H20N2O2/c24-21(13-8-17-5-2-1-3-6-17)18-9-11-20(12-10-18)25-14-4-7-19-15-22-16-23-19/h1-3,5-6,8-13,15-16H,4,7,14H2,(H,22,23)/b13-8+
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 11n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Antagonist activity at human H4 receptor expressed in CHO cells co-expressing Galphai2 assessed as inhibition of imetit-induced GTPgamma[35S] binding...

Eur J Med Chem 125: 565-572 (2017)


BindingDB Entry DOI: 10.7270/Q20C4Z66
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50259293
PNG
(CHEMBL4063170)
Show SMILES O=C(\C=C\c1ccccc1)c1ccc(OCCCc2c[nH]cn2)cc1
Show InChI InChI=1S/C21H20N2O2/c24-21(13-8-17-5-2-1-3-6-17)18-9-11-20(12-10-18)25-14-4-7-19-15-22-16-23-19/h1-3,5-6,8-13,15-16H,4,7,14H2,(H,22,23)/b13-8+
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 11n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Antagonist activity at H4 receptor in human SH-SY5Y cells assessed as inhibition of imetit-induced GTPgamma[35S] binding after 30 mins by microbeta s...

Eur J Med Chem 125: 565-572 (2017)


BindingDB Entry DOI: 10.7270/Q20C4Z66
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259304
PNG
(CHEMBL4070079)
Show SMILES O=C(N(C(=O)c1ccccc1)c1nccn2cc(nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H18N4O2/c31-25(20-12-6-2-7-13-20)30(26(32)21-14-8-3-9-15-21)23-24-28-22(18-29(24)17-16-27-23)19-10-4-1-5-11-19/h1-18H
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 64n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP production by [3H]cA...

Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259307
PNG
(CHEMBL4082271)
Show SMILES COc1ccc(cc1)-c1cn2ccnc(NC(=O)c3ccccc3)c2n1
Show InChI InChI=1S/C20H16N4O2/c1-26-16-9-7-14(8-10-16)17-13-24-12-11-21-18(19(24)22-17)23-20(25)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,23,25)
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 121n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50259300
PNG
(CHEMBL4101016)
Show SMILES Nc1nc(cn2cc(nc12)-c1ccco1)-c1ccccc1
Show InChI InChI=1S/C16H12N4O/c17-15-16-19-13(14-7-4-8-21-14)10-20(16)9-12(18-15)11-5-2-1-3-6-11/h1-10H,(H2,17,18)
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 143n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50259298
PNG
(CHEMBL4105350)
Show SMILES Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H14N4/c19-17-18-21-16(14-9-5-2-6-10-14)12-22(18)11-15(20-17)13-7-3-1-4-8-13/h1-12H,(H2,19,20)
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 180n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50259301
PNG
(CHEMBL4070713)
Show SMILES Nc1nc(Br)cn2cc(nc12)-c1ccco1
Show InChI InChI=1S/C10H7BrN4O/c11-8-5-15-4-6(7-2-1-3-16-7)13-10(15)9(12)14-8/h1-5H,(H2,12,14)
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 210n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259309
PNG
(CHEMBL4089977)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H20N4O/c1-18-12-14-21(15-13-18)26(31)29-24-25-28-23(20-10-6-3-7-11-20)17-30(25)16-22(27-24)19-8-4-2-5-9-19/h2-17H,1H3,(H,27,29,31)
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 223n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50259301
PNG
(CHEMBL4070713)
Show SMILES Nc1nc(Br)cn2cc(nc12)-c1ccco1
Show InChI InChI=1S/C10H7BrN4O/c11-8-5-15-4-6(7-2-1-3-16-7)13-10(15)9(12)14-8/h1-5H,(H2,12,14)
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 265n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50259298
PNG
(CHEMBL4105350)
Show SMILES Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H14N4/c19-17-18-21-16(14-9-5-2-6-10-14)12-22(18)11-15(20-17)13-7-3-1-4-8-13/h1-12H,(H2,19,20)
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 310n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50259302
PNG
(CHEMBL4071067)
Show SMILES Nc1nc(cn2cc(nc12)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C14H10N4O2/c15-13-14-17-10(12-4-2-6-20-12)8-18(14)7-9(16-13)11-3-1-5-19-11/h1-8H,(H2,15,16)
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 316n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50259297
PNG
(CHEMBL4062085)
Show SMILES Nc1nc(Br)cn2cc(nc12)-c1ccccc1
Show InChI InChI=1S/C12H9BrN4/c13-10-7-17-6-9(8-4-2-1-3-5-8)15-12(17)11(14)16-10/h1-7H,(H2,14,16)
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 420n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50259300
PNG
(CHEMBL4101016)
Show SMILES Nc1nc(cn2cc(nc12)-c1ccco1)-c1ccccc1
Show InChI InChI=1S/C16H12N4O/c17-15-16-19-13(14-7-4-8-21-14)10-20(16)9-12(18-15)11-5-2-1-3-6-11/h1-10H,(H2,17,18)
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 520n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50259299
PNG
(CHEMBL4076998)
Show SMILES COc1ccc(cc1)-c1cn2cc(nc(N)c2n1)-c1ccccc1
Show InChI InChI=1S/C19H16N4O/c1-24-15-9-7-14(8-10-15)17-12-23-11-16(13-5-3-2-4-6-13)21-18(20)19(23)22-17/h2-12H,1H3,(H2,20,21)
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 524n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259305
PNG
(CHEMBL4075670)
Show SMILES O=C(Cc1ccccc1)Nc1nccn2cc(nc12)-c1ccccc1
Show InChI InChI=1S/C20H16N4O/c25-18(13-15-7-3-1-4-8-15)23-19-20-22-17(14-24(20)12-11-21-19)16-9-5-2-6-10-16/h1-12,14H,13H2,(H,21,23,25)
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 524n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50259302
PNG
(CHEMBL4071067)
Show SMILES Nc1nc(cn2cc(nc12)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C14H10N4O2/c15-13-14-17-10(12-4-2-6-20-12)8-18(14)7-9(16-13)11-3-1-5-19-11/h1-8H,(H2,15,16)
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 854n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50259294
PNG
(CHEMBL4061504)
Show SMILES CCOC(=O)CN1Cc2ccccc2C[C@@H](NC(=O)C(Cc2ccccc2)C(=O)NO)C1=O
Show InChI InChI=1S/C24H27N3O6/c1-2-33-21(28)15-27-14-18-11-7-6-10-17(18)13-20(24(27)31)25-22(29)19(23(30)26-32)12-16-8-4-3-5-9-16/h3-11,19-20,32H,2,12-15H2,1H3,(H,25,29)(H,26,30)/t19?,20-/m1/s1
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 3.02E+3n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Antagonist activity at human H4 receptor expressed in CHO cells co-expressing Galphai2 assessed as inhibition of imetit-induced GTPgamma[35S] binding...

Eur J Med Chem 125: 565-572 (2017)


BindingDB Entry DOI: 10.7270/Q20C4Z66
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))		BDBM50259294
PNG
(CHEMBL4061504)
Show SMILES CCOC(=O)CN1Cc2ccccc2C[C@@H](NC(=O)C(Cc2ccccc2)C(=O)NO)C1=O
Show InChI InChI=1S/C24H27N3O6/c1-2-33-21(28)15-27-14-18-11-7-6-10-17(18)13-20(24(27)31)25-22(29)19(23(30)26-32)12-16-8-4-3-5-9-16/h3-11,19-20,32H,2,12-15H2,1H3,(H,25,29)(H,26,30)/t19?,20-/m1/s1
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 3.02E+3n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Eur J Med Chem 125: 565-572 (2017)


BindingDB Entry DOI: 10.7270/Q20C4Z66
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50259295
PNG
(CHEMBL4085023)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCn3ccnc3)c2c1
Show InChI InChI=1S/C25H25ClN4O3/c1-17-21(15-24(31)28-10-3-12-29-13-11-27-16-29)22-14-20(33-2)8-9-23(22)30(17)25(32)18-4-6-19(26)7-5-18/h4-9,11,13-14,16H,3,10,12,15H2,1-2H3,(H,28,31)
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 4.20E+3n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Antagonist activity at human H4 receptor expressed in CHO cells co-expressing Galphai2 assessed as inhibition of imetit-induced GTPgamma[35S] binding...

Eur J Med Chem 125: 565-572 (2017)


BindingDB Entry DOI: 10.7270/Q20C4Z66
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))		BDBM50259295
PNG
(CHEMBL4085023)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCn3ccnc3)c2c1
Show InChI InChI=1S/C25H25ClN4O3/c1-17-21(15-24(31)28-10-3-12-29-13-11-27-16-29)22-14-20(33-2)8-9-23(22)30(17)25(32)18-4-6-19(26)7-5-18/h4-9,11,13-14,16H,3,10,12,15H2,1-2H3,(H,28,31)
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 4.20E+3n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Effective concentration for activation of RNase L

Eur J Med Chem 125: 565-572 (2017)


BindingDB Entry DOI: 10.7270/Q20C4Z66
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50259296
PNG
(CHEMBL4077914)
Show SMILES COc1ccc(\C(=N\[C@H](C)Cc2cnc[nH]2)c2ccccc2)c(O)c1
Show InChI InChI=1S/C20H21N3O2/c1-14(10-16-12-21-13-22-16)23-20(15-6-4-3-5-7-15)18-9-8-17(25-2)11-19(18)24/h3-9,11-14,24H,10H2,1-2H3,(H,21,22)/b23-20+/t14-/m1/s1
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 6.75E+3n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Effective concentration for activation of RNase L

Eur J Med Chem 125: 565-572 (2017)


BindingDB Entry DOI: 10.7270/Q20C4Z66
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))		BDBM50259247
PNG
(CHEMBL4065223 | US10266550, Compound 11g)
Show SMILES Nc1ccc2c(c1)oc1c(N3CCC(CC3)N3CCCCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C26H27FN4O4/c27-19-13-17-22-25(23(19)30-10-6-16(7-11-30)29-8-2-1-3-9-29)35-21-12-15(28)4-5-20(21)31(22)14-18(24(17)32)26(33)34/h4-5,12-14,16H,1-3,6-11,28H2,(H,33,34)
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n/an/a 2.93E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
Human Topoisomerase IIα assays were carried out by adding the compounds to 185 ng of kinetoplast DNA (kDNA, from TopoGen) in the buffer supplied...

US Patent US10266550 (2019)


BindingDB Entry DOI: 10.7270/Q2H997HD
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))		BDBM50259247
PNG
(CHEMBL4065223 | US10266550, Compound 11g)
Show SMILES Nc1ccc2c(c1)oc1c(N3CCC(CC3)N3CCCCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C26H27FN4O4/c27-19-13-17-22-25(23(19)30-10-6-16(7-11-30)29-8-2-1-3-9-29)35-21-12-15(28)4-5-20(21)31(22)14-18(24(17)32)26(33)34/h4-5,12-14,16H,1-3,6-11,28H2,(H,33,34)
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n/an/a 1.56E+4n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
DNA gyrase supercoiling assays were carried out by mixing the compounds and the enzyme in a similar manner as above (EcTopI relaxation inhibition ass...

US Patent US10266550 (2019)


BindingDB Entry DOI: 10.7270/Q2H997HD
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))		BDBM50259296
PNG
(CHEMBL4077914)
Show SMILES COc1ccc(\C(=N\[C@H](C)Cc2cnc[nH]2)c2ccccc2)c(O)c1
Show InChI InChI=1S/C20H21N3O2/c1-14(10-16-12-21-13-22-16)23-20(15-6-4-3-5-7-15)18-9-8-17(25-2)11-19(18)24/h3-9,11-14,24H,10H2,1-2H3,(H,21,22)/b23-20+/t14-/m1/s1
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n/an/an/an/a 6.75E+3n/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Antagonist activity at human H4 receptor expressed in CHO cells co-expressing Galphai2 assessed as inhibition of imetit-induced GTPgamma[35S] binding...

Eur J Med Chem 125: 565-572 (2017)


BindingDB Entry DOI: 10.7270/Q20C4Z66
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Escherichia coli (strain K12))		BDBM50259247
PNG
(CHEMBL4065223 | US10266550, Compound 11g)
Show SMILES Nc1ccc2c(c1)oc1c(N3CCC(CC3)N3CCCCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C26H27FN4O4/c27-19-13-17-22-25(23(19)30-10-6-16(7-11-30)29-8-2-1-3-9-29)35-21-12-15(28)4-5-20(21)31(22)14-18(24(17)32)26(33)34/h4-5,12-14,16H,1-3,6-11,28H2,(H,33,34)
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n/an/a 480n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...

US Patent US10266550 (2019)


BindingDB Entry DOI: 10.7270/Q2H997HD
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50259247
PNG
(CHEMBL4065223 | US10266550, Compound 11g)
Show SMILES Nc1ccc2c(c1)oc1c(N3CCC(CC3)N3CCCCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C26H27FN4O4/c27-19-13-17-22-25(23(19)30-10-6-16(7-11-30)29-8-2-1-3-9-29)35-21-12-15(28)4-5-20(21)31(22)14-18(24(17)32)26(33)34/h4-5,12-14,16H,1-3,6-11,28H2,(H,33,34)
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n/an/a 240n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...

US Patent US10266550 (2019)


BindingDB Entry DOI: 10.7270/Q2H997HD
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259304
PNG
(CHEMBL4070079)
Show SMILES O=C(N(C(=O)c1ccccc1)c1nccn2cc(nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H18N4O2/c31-25(20-12-6-2-7-13-20)30(26(32)21-14-8-3-9-15-21)23-24-28-22(18-29(24)17-16-27-23)19-10-4-1-5-11-19/h1-18H
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n/an/a 187n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP production by [3H]cA...

Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))		BDBM50259247
PNG
(CHEMBL4065223 | US10266550, Compound 11g)
Show SMILES Nc1ccc2c(c1)oc1c(N3CCC(CC3)N3CCCCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C26H27FN4O4/c27-19-13-17-22-25(23(19)30-10-6-16(7-11-30)29-8-2-1-3-9-29)35-21-12-15(28)4-5-20(21)31(22)14-18(24(17)32)26(33)34/h4-5,12-14,16H,1-3,6-11,28H2,(H,33,34)
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n/an/a 1.95E+3n/an/an/an/an/an/a



University of Hawaii at Hilo

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase-2alpha assessed as reduction in enzyme-mediated decatenation using kinetoplast DNA as substrate after 15 mins by et...

Eur J Med Chem 125: 515-527 (2017)


BindingDB Entry DOI: 10.7270/Q2445PXH
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Homo sapiens (Human))		BDBM50259247
PNG
(CHEMBL4065223 | US10266550, Compound 11g)
Show SMILES Nc1ccc2c(c1)oc1c(N3CCC(CC3)N3CCCCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Show InChI InChI=1S/C26H27FN4O4/c27-19-13-17-22-25(23(19)30-10-6-16(7-11-30)29-8-2-1-3-9-29)35-21-12-15(28)4-5-20(21)31(22)14-18(24(17)32)26(33)34/h4-5,12-14,16H,1-3,6-11,28H2,(H,33,34)
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n/an/a 3.90E+3n/an/an/an/an/an/a



THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

US Patent


Assay Description
Human topoisomerase I relaxation assays were carried out with 0.5 U of enzyme in reaction buffer supplied by the manufacturer. The enzyme was mixed w...

US Patent US10266550 (2019)


BindingDB Entry DOI: 10.7270/Q2H997HD
More data for this
Ligand-Target Pair