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15 similar compounds to monomer 50105124

Compile data set for download or QSAR
Wt: 560.7
BDBM50105135
Wt: 479.7
BDBM50105137
Wt: 490.6
BDBM50105138
Wt: 588.8
BDBM50105141
Wt: 409.6
BDBM50105142
Wt: 602.8
BDBM50105143
Wt: 546.7
BDBM50105119
Wt: 437.6
BDBM50105120
Wt: 518.7
BDBM50105121
Wt: 588.8
BDBM50105123
Wt: 451.6
BDBM50105125
Wt: 451.6
BDBM50105128
Wt: 546.7
BDBM50105129
Wt: 420.5
BDBM50105130
Wt: 644.9
BDBM50105132

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50105135,50105137,50105138,50105141,50105142,50105143,50105119,50105120,50105121,50105123,50105125,50105128,50105129,50105130,50105132   
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
Adenosine transporter 1


(Trypanosoma brucei)
BDBM50105135
PNG
(CHEMBL542936 | N2-(3-((12-((3-((4Amino,6-(methylam...)
Show SMILES CNc1nc(N)nc(NCCCNCCCCCCCCCCCCNCCCNc2nc(N)nc(NC)n2)n1
Show InChI InChI=1S/C26H52N14/c1-29-23-35-21(27)37-25(39-23)33-19-13-17-31-15-11-9-7-5-3-4-6-8-10-12-16-32-18-14-20-34-26-38-22(28)36-24(30-2)40-26/h31-32H,3-20H2,1-2H3,(H4,27,29,33,35,37,39)(H4,28,30,34,36,38,40)
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135n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei


J Med Chem 44: 3440-52 (2001)


Article DOI: 10.1021/jm010854+
BindingDB Entry DOI: 10.7270/Q2VD706V
More data for this
Ligand-Target Pair
Adenosine transporter 1


(Trypanosoma brucei)
BDBM50105123
PNG
(CHEMBL544581 | N2-(3-((12-((3-((4Amino,6-(dimethyl...)
Show SMILES CN(C)c1nc(N)nc(NCCCNCCCCCCCCCCCCNCCCNc2nc(N)nc(n2)N(C)C)n1
Show InChI InChI=1S/C28H56N14/c1-41(2)27-37-23(29)35-25(39-27)33-21-15-19-31-17-13-11-9-7-5-6-8-10-12-14-18-32-20-16-22-34-26-36-24(30)38-28(40-26)42(3)4/h31-32H,5-22H2,1-4H3,(H3,29,33,35,37,39)(H3,30,34,36,38,40)
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240n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei


J Med Chem 44: 3440-52 (2001)


Article DOI: 10.1021/jm010854+
BindingDB Entry DOI: 10.7270/Q2VD706V
More data for this
Ligand-Target Pair
Adenosine transporter 1


(Trypanosoma brucei)
BDBM50105120
PNG
(CHEMBL542932 | N-{3-[12-(3-Amino-propylamino)-dode...)
Show SMILES CNc1nc(N)nc(NCCCNCCCCCCCCCCCCNCCCN)n1
Show InChI InChI=1S/C22H47N9/c1-25-21-29-20(24)30-22(31-21)28-19-13-18-27-16-11-9-7-5-3-2-4-6-8-10-15-26-17-12-14-23/h26-27H,2-19,23H2,1H3,(H4,24,25,28,29,30,31)
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410n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei


J Med Chem 44: 3440-52 (2001)


Article DOI: 10.1021/jm010854+
BindingDB Entry DOI: 10.7270/Q2VD706V
More data for this
Ligand-Target Pair
Adenosine transporter 1


(Trypanosoma brucei)
BDBM50105137
PNG
(CHEMBL545281 | N-{3-[12-(3-Amino-propylamino)-dode...)
Show SMILES CN(C)c1nc(NCCCNCCCCCCCCCCCCNCCCN)nc(n1)N(C)C
Show InChI InChI=1S/C25H53N9/c1-33(2)24-30-23(31-25(32-24)34(3)4)29-22-16-21-28-19-14-12-10-8-6-5-7-9-11-13-18-27-20-15-17-26/h27-28H,5-22,26H2,1-4H3,(H,29,30,31,32)
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600n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei


J Med Chem 44: 3440-52 (2001)


Article DOI: 10.1021/jm010854+
BindingDB Entry DOI: 10.7270/Q2VD706V
More data for this
Ligand-Target Pair
Adenosine transporter 1


(Trypanosoma brucei)
BDBM50105121
PNG
(CHEMBL542204 | N2-(3-((9-((3-((4-Amino-6-(methylam...)
Show SMILES CNc1nc(N)nc(NCCCNCCCCCCCCCNCCCNc2nc(N)nc(NC)n2)n1
Show InChI InChI=1S/C23H46N14/c1-26-20-32-18(24)34-22(36-20)30-16-10-14-28-12-8-6-4-3-5-7-9-13-29-15-11-17-31-23-35-19(25)33-21(27-2)37-23/h28-29H,3-17H2,1-2H3,(H4,24,26,30,32,34,36)(H4,25,27,31,33,35,37)
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750n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei


J Med Chem 44: 3440-52 (2001)


Article DOI: 10.1021/jm010854+
BindingDB Entry DOI: 10.7270/Q2VD706V
More data for this
Ligand-Target Pair
Adenosine transporter 1


(Trypanosoma brucei)
BDBM50105125
PNG
(CHEMBL541322 | N-{3-[12-(3-Amino-propylamino)-dode...)
Show SMILES CN(C)c1nc(N)nc(NCCCNCCCCCCCCCCCCNCCCN)n1
Show InChI InChI=1S/C23H49N9/c1-32(2)23-30-21(25)29-22(31-23)28-20-14-19-27-17-12-10-8-6-4-3-5-7-9-11-16-26-18-13-15-24/h26-27H,3-20,24H2,1-2H3,(H3,25,28,29,30,31)
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1.00E+3n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei


J Med Chem 44: 3440-52 (2001)


Article DOI: 10.1021/jm010854+
BindingDB Entry DOI: 10.7270/Q2VD706V
More data for this
Ligand-Target Pair
Adenosine transporter 1


(Trypanosoma brucei)
BDBM50105132
PNG
(CHEMBL544335 | N2-(3-((12-((3-((4,6-Di(dimethylami...)
Show SMILES CN(C)c1nc(NCCCNCCCCCCCCCCCCNCCCNc2nc(nc(n2)N(C)C)N(C)C)nc(n1)N(C)C
Show InChI InChI=1S/C32H64N14/c1-43(2)29-37-27(38-30(41-29)44(3)4)35-25-19-23-33-21-17-15-13-11-9-10-12-14-16-18-22-34-24-20-26-36-28-39-31(45(5)6)42-32(40-28)46(7)8/h33-34H,9-26H2,1-8H3,(H,35,37,38,41)(H,36,39,40,42)
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2.50E+3n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei


J Med Chem 44: 3440-52 (2001)


Article DOI: 10.1021/jm010854+
BindingDB Entry DOI: 10.7270/Q2VD706V
More data for this
Ligand-Target Pair
Adenosine transporter 1


(Trypanosoma brucei)
BDBM50105141
PNG
(CHEMBL542698 | N2-(3-((12-((3-((4,6-Di(methylamino...)
Show SMILES CNc1nc(NC)nc(NCCCNCCCCCCCCCCCCNCCCNc2nc(NC)nc(NC)n2)n1
Show InChI InChI=1S/C28H56N14/c1-29-23-37-24(30-2)40-27(39-23)35-21-15-19-33-17-13-11-9-7-5-6-8-10-12-14-18-34-20-16-22-36-28-41-25(31-3)38-26(32-4)42-28/h33-34H,5-22H2,1-4H3,(H3,29,30,35,37,39,40)(H3,31,32,36,38,41,42)
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3.20E+3n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei


J Med Chem 44: 3440-52 (2001)


Article DOI: 10.1021/jm010854+
BindingDB Entry DOI: 10.7270/Q2VD706V
More data for this
Ligand-Target Pair
Adenosine transporter 1


(Trypanosoma brucei)
BDBM50105119
PNG
(CHEMBL539797 | N2-(3-((9-((3-((4-Amino-6-(methylam...)
Show SMILES CN(C)c1nc(N)nc(NCCCNCCCCCCCCCNCCCNc2nc(N)nc(n2)N(C)C)n1
Show InChI InChI=1S/C25H50N14/c1-38(2)24-34-20(26)32-22(36-24)30-18-12-16-28-14-10-8-6-5-7-9-11-15-29-17-13-19-31-23-33-21(27)35-25(37-23)39(3)4/h28-29H,5-19H2,1-4H3,(H3,26,30,32,34,36)(H3,27,31,33,35,37)
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1.00E+4n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei


J Med Chem 44: 3440-52 (2001)


Article DOI: 10.1021/jm010854+
BindingDB Entry DOI: 10.7270/Q2VD706V
More data for this
Ligand-Target Pair
Adenosine transporter 1


(Trypanosoma brucei)
BDBM50105129
PNG
(CHEMBL542208 | N2-(3-((9-((3-((4,6-Di(methylamino)...)
Show SMILES CNc1nc(NC)nc(NCCCNCCCCCCCCCNCCCNc2nc(NC)nc(NC)n2)n1
Show InChI InChI=1S/C25H50N14/c1-26-20-34-21(27-2)37-24(36-20)32-18-12-16-30-14-10-8-6-5-7-9-11-15-31-17-13-19-33-25-38-22(28-3)35-23(29-4)39-25/h30-31H,5-19H2,1-4H3,(H3,26,27,32,34,36,37)(H3,28,29,33,35,38,39)
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1.40E+4n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei


J Med Chem 44: 3440-52 (2001)


Article DOI: 10.1021/jm010854+
BindingDB Entry DOI: 10.7270/Q2VD706V
More data for this
Ligand-Target Pair
Adenosine transporter 1


(Trypanosoma brucei)
BDBM50105142
PNG
(CHEMBL554895 | N-{3-[9-(3-Amino-propylamino)-nonyl...)
Show SMILES CNc1nc(NC)nc(NCCCNCCCCCCCCCNCCCN)n1
Show InChI InChI=1S/C20H43N9/c1-22-18-27-19(23-2)29-20(28-18)26-17-11-16-25-14-9-7-5-3-4-6-8-13-24-15-10-12-21/h24-25H,3-17,21H2,1-2H3,(H3,22,23,26,27,28,29)
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1.70E+4n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei


J Med Chem 44: 3440-52 (2001)


Article DOI: 10.1021/jm010854+
BindingDB Entry DOI: 10.7270/Q2VD706V
More data for this
Ligand-Target Pair
Adenosine transporter 1


(Trypanosoma brucei)
BDBM50105138
PNG
(CHEMBL543641 | N2-(3-[9-(3-[(4,6-Diamino-1,3,5-tri...)
Show SMILES Nc1nc(N)nc(NCCCNCCCCCCCCCNCCCNc2nc(N)nc(N)n2)n1
Show InChI InChI=1S/C21H42N14/c22-16-30-17(23)33-20(32-16)28-14-8-12-26-10-6-4-2-1-3-5-7-11-27-13-9-15-29-21-34-18(24)31-19(25)35-21/h26-27H,1-15H2,(H5,22,23,28,30,32,33)(H5,24,25,29,31,34,35)
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1.90E+4n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei


J Med Chem 44: 3440-52 (2001)


Article DOI: 10.1021/jm010854+
BindingDB Entry DOI: 10.7270/Q2VD706V
More data for this
Ligand-Target Pair
Adenosine transporter 1


(Trypanosoma brucei)
BDBM50105128
PNG
(CHEMBL538778 | N-{3-[12-(3-Amino-propylamino)-dode...)
Show SMILES CNc1nc(NC)nc(NCCCNCCCCCCCCCCCCNCCCN)n1
Show InChI InChI=1S/C23H49N9/c1-25-21-30-22(26-2)32-23(31-21)29-20-14-19-28-17-12-10-8-6-4-3-5-7-9-11-16-27-18-13-15-24/h27-28H,3-20,24H2,1-2H3,(H3,25,26,29,30,31,32)
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2.50E+4n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei


J Med Chem 44: 3440-52 (2001)


Article DOI: 10.1021/jm010854+
BindingDB Entry DOI: 10.7270/Q2VD706V
More data for this
Ligand-Target Pair
Adenosine transporter 1


(Trypanosoma brucei)
BDBM50105143
PNG
(CHEMBL544116 | N2-(3-((9-((3-((4,6-Di(dimethylamin...)
Show SMILES CN(C)c1nc(NCCCNCCCCCCCCCNCCCNc2nc(nc(n2)N(C)C)N(C)C)nc(n1)N(C)C
Show InChI InChI=1S/C29H58N14/c1-40(2)26-34-24(35-27(38-26)41(3)4)32-22-16-20-30-18-14-12-10-9-11-13-15-19-31-21-17-23-33-25-36-28(42(5)6)39-29(37-25)43(7)8/h30-31H,9-23H2,1-8H3,(H,32,34,35,38)(H,33,36,37,39)
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2.90E+4n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei


J Med Chem 44: 3440-52 (2001)


Article DOI: 10.1021/jm010854+
BindingDB Entry DOI: 10.7270/Q2VD706V
More data for this
Ligand-Target Pair
Adenosine transporter 1


(Trypanosoma brucei)
BDBM50105130
PNG
(CHEMBL543639 | N2-(3-[4-(3-[(4,6-Diamino-1,3,5-tri...)
Show SMILES Nc1nc(N)nc(NCCCNCCCCNCCCNc2nc(N)nc(N)n2)n1
Show InChI InChI=1S/C16H32N14/c17-11-25-12(18)28-15(27-11)23-9-3-7-21-5-1-2-6-22-8-4-10-24-16-29-13(19)26-14(20)30-16/h21-22H,1-10H2,(H5,17,18,23,25,27,28)(H5,19,20,24,26,29,30)
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7.20E+4n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei


J Med Chem 44: 3440-52 (2001)


Article DOI: 10.1021/jm010854+
BindingDB Entry DOI: 10.7270/Q2VD706V
More data for this
Ligand-Target Pair