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5 similar compounds to monomer 50105144

Compile data set for download or QSAR
Wt: 807.0
BDBM50105134
Wt: 919.2
BDBM50105139
Wt: 877.1
BDBM50105118
Wt: 877.1
BDBM50105131
Wt: 919.2
BDBM50105133

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50105134,50105139,50105118,50105131,50105133   
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)
BDBM50105139
PNG
(CHEMBL544580 | N1,N9-Di(3-(((4,6-(dimethylamino-1,...)
Show SMILES CNc1nc(CN(CCCNCCCCCCCCCCCCNCCCN(Cc2nc(NC)nc(NC)n2)Cc2nc(NC)nc(NC)n2)Cc2nc(NC)nc(NC)n2)nc(NC)n1
Show InChI InChI=1S/C42H78N24/c1-43-35-53-31(54-36(44-2)61-35)27-65(28-32-55-37(45-3)62-38(46-4)56-32)25-19-23-51-21-17-15-13-11-9-10-12-14-16-18-22-52-24-20-26-66(29-33-57-39(47-5)63-40(48-6)58-33)30-34-59-41(49-7)64-42(50-8)60-34/h51-52H,9-30H2,1-8H3,(H2,43,44,53,54,61)(H2,45,46,55,56,62)(H2,47,48,57,58,63)(H2,49,50,59,60,64)
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40E+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)
BDBM50105133
PNG
(CHEMBL541581 | N1,N9-Di(3-(((4-amino-6-(dimethylam...)
Show SMILES CN(C)c1nc(N)nc(CN(CCCNCCCCCCCCCCCCNCCCN(Cc2nc(N)nc(n2)N(C)C)Cc2nc(N)nc(n2)N(C)C)Cc2nc(N)nc(n2)N(C)C)n1
Show InChI InChI=1S/C42H78N24/c1-61(2)39-53-31(49-35(43)57-39)27-65(28-32-50-36(44)58-40(54-32)62(3)4)25-19-23-47-21-17-15-13-11-9-10-12-14-16-18-22-48-24-20-26-66(29-33-51-37(45)59-41(55-33)63(5)6)30-34-52-38(46)60-42(56-34)64(7)8/h47-48H,9-30H2,1-8H3,(H2,43,49,53,57)(H2,44,50,54,58)(H2,45,51,55,59)(H2,46,52,56,60)
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.60E+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)
BDBM50105134
PNG
(CHEMBL555240 | N1,N9-Di(3-(di((4,6-diamino-1,3,5-t...)
Show SMILES Nc1nc(N)nc(CN(CCCNCCCCCCCCCCCCNCCCN(Cc2nc(N)nc(N)n2)Cc2nc(N)nc(N)n2)Cc2nc(N)nc(N)n2)n1
Show InChI InChI=1S/C34H62N24/c35-27-45-23(46-28(36)53-27)19-57(20-24-47-29(37)54-30(38)48-24)17-11-15-43-13-9-7-5-3-1-2-4-6-8-10-14-44-16-12-18-58(21-25-49-31(39)55-32(40)50-25)22-26-51-33(41)56-34(42)52-26/h43-44H,1-22H2,(H4,35,36,45,46,53)(H4,37,38,47,48,54)(H4,39,40,49,50,55)(H4,41,42,51,52,56)
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.70E+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)
BDBM50105118
PNG
(CHEMBL536324 | N1,N9-Di(3-(((4-amino-6-(dimethylam...)
Show SMILES CN(C)c1nc(N)nc(CN(CCCNCCCCCCCCCNCCCN(Cc2nc(N)nc(n2)N(C)C)Cc2nc(N)nc(n2)N(C)C)Cc2nc(N)nc(n2)N(C)C)n1
Show InChI InChI=1S/C39H72N24/c1-58(2)36-50-28(46-32(40)54-36)24-62(25-29-47-33(41)55-37(51-29)59(3)4)22-16-20-44-18-14-12-10-9-11-13-15-19-45-21-17-23-63(26-30-48-34(42)56-38(52-30)60(5)6)27-31-49-35(43)57-39(53-31)61(7)8/h44-45H,9-27H2,1-8H3,(H2,40,46,50,54)(H2,41,47,51,55)(H2,42,48,52,56)(H2,43,49,53,57)
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
BDBM50105131
PNG
(CHEMBL553511 | N1,N9-Di(3-(((4,6-(dimethylamino-1,...)
Show SMILES CNc1nc(CN(CCCNCCCCCCCCCNCCCN(Cc2nc(NC)nc(NC)n2)Cc2nc(NC)nc(NC)n2)Cc2nc(NC)nc(NC)n2)nc(NC)n1
Show InChI InChI=1S/C39H72N24/c1-40-32-50-28(51-33(41-2)58-32)24-62(25-29-52-34(42-3)59-35(43-4)53-29)22-16-20-48-18-14-12-10-9-11-13-15-19-49-21-17-23-63(26-30-54-36(44-5)60-37(45-6)55-30)27-31-56-38(46-7)61-39(47-8)57-31/h48-49H,9-27H2,1-8H3,(H2,40,41,50,51,58)(H2,42,43,52,53,59)(H2,44,45,54,55,60)(H2,46,47,56,57,61)
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+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