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20 similar compounds to monomer 50259308

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: 314.3
BDBM50259303
Wt: 289.1
BDBM50259297
Wt: 478.5
BDBM50259247
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50259309,50259307,50259293,50259294,50259295,50259296,50259299,50259301,50259298,50259305,50259304,50259302,50259303,50259297,50259247   
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 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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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 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
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
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50259303
PNG
(CHEMBL4092103)
Show SMILES O=C(Nc1nccn2cc(nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H14N4O/c24-19(15-9-5-2-6-10-15)22-17-18-21-16(13-23(18)12-11-20-17)14-7-3-1-4-8-14/h1-13H,(H,20,22,24)
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52n/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
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))
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 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
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50259303
PNG
(CHEMBL4092103)
Show SMILES O=C(Nc1nccn2cc(nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H14N4O/c24-19(15-9-5-2-6-10-15)22-17-18-21-16(13-23(18)12-11-20-17)14-7-3-1-4-8-14/h1-13H,(H,20,22,24)
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n/an/a 163n/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
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
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 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
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 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
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 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