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8 similar compounds to monomer 50117168

Wt: 450.5
BDBM50117156
Wt: 469.3
BDBM50117158
Wt: 434.9
BDBM50117159
Wt: 434.9
BDBM50117160
Wt: 414.5
BDBM50117162
Wt: 400.4
BDBM50117166
Wt: 479.3
BDBM50117172
Wt: 434.9
BDBM50117174

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50117156,50117158,50117159,50117160,50117162,50117166,50117172,50117174   
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 Kinase (AK)


(Rattus norvegicus (rat))
BDBM50117160
PNG
(CHEMBL121361 | N*5*-(2-Chloro-benzyl)-N*5*-methyl-...)
Show SMILES CN(Cc1ccccc1Cl)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C23H23ClN6O/c1-29(15-18-4-2-3-5-19(18)24)22-20(27-16-28-23(22)25)8-6-17-7-9-21(26-14-17)30-10-12-31-13-11-30/h2-5,7,9,14,16H,10-13,15H2,1H3,(H2,25,27,28)
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50117162
PNG
(CHEMBL121415 | N*5*-Methyl-N*5*-(2-methyl-benzyl)-...)
Show SMILES CN(Cc1ccccc1C)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C24H26N6O/c1-18-5-3-4-6-20(18)16-29(2)23-21(27-17-28-24(23)25)9-7-19-8-10-22(26-15-19)30-11-13-31-14-12-30/h3-6,8,10,15,17H,11-14,16H2,1-2H3,(H2,25,27,28)
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50117158
PNG
(CHEMBL121580 | N*5*-(3,4-Dichloro-benzyl)-N*5*-met...)
Show SMILES CN(Cc1ccc(Cl)c(Cl)c1)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C23H22Cl2N6O/c1-30(14-17-2-5-18(24)19(25)12-17)22-20(28-15-29-23(22)26)6-3-16-4-7-21(27-13-16)31-8-10-32-11-9-31/h2,4-5,7,12-13,15H,8-11,14H2,1H3,(H2,26,28,29)
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n/an/a 220n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50117156
PNG
(CHEMBL121475 | N*5*-Methyl-6-(6-morpholin-4-yl-pyr...)
Show SMILES CN(Cc1ccc2ccccc2c1)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C27H26N6O/c1-32(18-21-6-9-22-4-2-3-5-23(22)16-21)26-24(30-19-31-27(26)28)10-7-20-8-11-25(29-17-20)33-12-14-34-15-13-33/h2-6,8-9,11,16-17,19H,12-15,18H2,1H3,(H2,28,30,31)
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n/an/a 246n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50117166
PNG
(CHEMBL120976 | N*5*-Benzyl-N*5*-methyl-6-(6-morpho...)
Show SMILES CN(Cc1ccccc1)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C23H24N6O/c1-28(16-19-5-3-2-4-6-19)22-20(26-17-27-23(22)24)9-7-18-8-10-21(25-15-18)29-11-13-30-14-12-29/h2-6,8,10,15,17H,11-14,16H2,1H3,(H2,24,26,27)
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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Adenosine kinase in cycstolic assay


Bioorg Med Chem Lett 14: 4165-8 (2004)

More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50117159
PNG
(CHEMBL121400 | N*5*-(4-Chloro-benzyl)-N*5*-methyl-...)
Show SMILES CN(Cc1ccc(Cl)cc1)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C23H23ClN6O/c1-29(15-18-2-6-19(24)7-3-18)22-20(27-16-28-23(22)25)8-4-17-5-9-21(26-14-17)30-10-12-31-13-11-30/h2-3,5-7,9,14,16H,10-13,15H2,1H3,(H2,25,27,28)
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n/an/a 106n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50117172
PNG
(CHEMBL119663 | N*5*-(4-Bromo-benzyl)-N*5*-methyl-6...)
Show SMILES CN(Cc1ccc(Br)cc1)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C23H23BrN6O/c1-29(15-18-2-6-19(24)7-3-18)22-20(27-16-28-23(22)25)8-4-17-5-9-21(26-14-17)30-10-12-31-13-11-30/h2-3,5-7,9,14,16H,10-13,15H2,1H3,(H2,25,27,28)
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n/an/a 90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50117174
PNG
(CHEMBL434410 | N*5*-(3-Chloro-benzyl)-N*5*-methyl-...)
Show SMILES CN(Cc1cccc(Cl)c1)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C23H23ClN6O/c1-29(15-18-3-2-4-19(24)13-18)22-20(27-16-28-23(22)25)7-5-17-6-8-21(26-14-17)30-9-11-31-12-10-30/h2-4,6,8,13-14,16H,9-12,15H2,1H3,(H2,25,27,28)
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n/an/a 22n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50117166
PNG
(CHEMBL120976 | N*5*-Benzyl-N*5*-methyl-6-(6-morpho...)
Show SMILES CN(Cc1ccccc1)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C23H24N6O/c1-28(16-19-5-3-2-4-6-19)22-20(26-17-27-23(22)24)9-7-18-8-10-21(25-15-18)29-11-13-30-14-12-29/h2-6,8,10,15,17H,11-14,16H2,1H3,(H2,24,26,27)
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n/an/a 30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair