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19 similar compounds to monomer 50380272

Compile data set for download or QSAR
Wt: 390.4
BDBM50380241
Wt: 376.4
BDBM50380242
Wt: 390.4
BDBM50380243
Wt: 404.5
BDBM50380251
Wt: 418.5
BDBM50380252
Wt: 416.5
BDBM50380253
Wt: 378.4
BDBM50380261
Wt: 420.5
BDBM50380262
Wt: 418.5
BDBM50380263
Wt: 404.5
BDBM50380269
Wt: 404.5
BDBM50380270
Wt: 391.4
BDBM50380271
Wt: 404.5
BDBM50380273
Wt: 404.5
BDBM50380274
Wt: 450.6
BDBM50380283
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50380241,50380242,50380243,50380251,50380252,50380253,50380261,50380262,50380263,50380269,50380270,50380271,50380273,50380274,50380283   
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
Ketohexokinase


(Homo sapiens (Human))
BDBM50380241
PNG
(CHEMBL2017209)
Show SMILES Cc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1
Show InChI InChI=1S/C21H26N8/c1-14-4-2-3-5-16(14)26-20-17-18(19(25-13-24-17)23-12-15-6-7-15)27-21(28-20)29-10-8-22-9-11-29/h2-5,13,15,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28)
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n/an/a 210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...


ACS Med Chem Lett 2: 538-543 (2011)


Article DOI: 10.1021/ml200070g
BindingDB Entry DOI: 10.7270/Q2NZ88N1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ketohexokinase


(Homo sapiens (Human))
BDBM50380241
PNG
(CHEMBL2017209)
Show SMILES Cc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1
Show InChI InChI=1S/C21H26N8/c1-14-4-2-3-5-16(14)26-20-17-18(19(25-13-24-17)23-12-15-6-7-15)27-21(28-20)29-10-8-22-9-11-29/h2-5,13,15,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28)
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n/an/a 2.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...


ACS Med Chem Lett 2: 538-543 (2011)


Article DOI: 10.1021/ml200070g
BindingDB Entry DOI: 10.7270/Q2NZ88N1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ketohexokinase


(Homo sapiens (Human))
BDBM50380243
PNG
(CHEMBL2017211)
Show SMILES Cc1cccc(Nc2nc(nc3c(NCC4CC4)ncnc23)N2CCNCC2)c1
Show InChI InChI=1S/C21H26N8/c1-14-3-2-4-16(11-14)26-20-17-18(19(25-13-24-17)23-12-15-5-6-15)27-21(28-20)29-9-7-22-8-10-29/h2-4,11,13,15,22H,5-10,12H2,1H3,(H,23,24,25)(H,26,27,28)
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n/an/a 2.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...


ACS Med Chem Lett 2: 538-543 (2011)


Article DOI: 10.1021/ml200070g
BindingDB Entry DOI: 10.7270/Q2NZ88N1
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50380251
PNG
(CHEMBL2017220)
Show SMILES CCc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1
Show InChI InChI=1S/C22H28N8/c1-2-16-5-3-4-6-17(16)27-21-18-19(20(26-14-25-18)24-13-15-7-8-15)28-22(29-21)30-11-9-23-10-12-30/h3-6,14-15,23H,2,7-13H2,1H3,(H,24,25,26)(H,27,28,29)
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n/an/a 130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...


ACS Med Chem Lett 2: 538-543 (2011)


Article DOI: 10.1021/ml200070g
BindingDB Entry DOI: 10.7270/Q2NZ88N1
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50380252
PNG
(CHEMBL2017221)
Show SMILES CC(C)c1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1
Show InChI InChI=1S/C23H30N8/c1-15(2)17-5-3-4-6-18(17)28-22-19-20(21(27-14-26-19)25-13-16-7-8-16)29-23(30-22)31-11-9-24-10-12-31/h3-6,14-16,24H,7-13H2,1-2H3,(H,25,26,27)(H,28,29,30)
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...


ACS Med Chem Lett 2: 538-543 (2011)


Article DOI: 10.1021/ml200070g
BindingDB Entry DOI: 10.7270/Q2NZ88N1
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50380253
PNG
(CHEMBL2017222)
Show SMILES C(Nc1ncnc2c(Nc3ccccc3C3CC3)nc(nc12)N1CCNCC1)C1CC1
Show InChI InChI=1S/C23H28N8/c1-2-4-18(17(3-1)16-7-8-16)28-22-19-20(21(27-14-26-19)25-13-15-5-6-15)29-23(30-22)31-11-9-24-10-12-31/h1-4,14-16,24H,5-13H2,(H,25,26,27)(H,28,29,30)
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n/an/a 380n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...


ACS Med Chem Lett 2: 538-543 (2011)


Article DOI: 10.1021/ml200070g
BindingDB Entry DOI: 10.7270/Q2NZ88N1
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50380261
PNG
(CHEMBL2017228)
Show SMILES CCCNc1ncnc2c(Nc3ccccc3C)nc(nc12)N1CCNCC1
Show InChI InChI=1S/C20H26N8/c1-3-8-22-18-17-16(23-13-24-18)19(25-15-7-5-4-6-14(15)2)27-20(26-17)28-11-9-21-10-12-28/h4-7,13,21H,3,8-12H2,1-2H3,(H,22,23,24)(H,25,26,27)
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n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...


ACS Med Chem Lett 2: 538-543 (2011)


Article DOI: 10.1021/ml200070g
BindingDB Entry DOI: 10.7270/Q2NZ88N1
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50380262
PNG
(CHEMBL2017229)
Show SMILES CCCCCCNc1ncnc2c(Nc3ccccc3C)nc(nc12)N1CCNCC1
Show InChI InChI=1S/C23H32N8/c1-3-4-5-8-11-25-21-20-19(26-16-27-21)22(28-18-10-7-6-9-17(18)2)30-23(29-20)31-14-12-24-13-15-31/h6-7,9-10,16,24H,3-5,8,11-15H2,1-2H3,(H,25,26,27)(H,28,29,30)
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...


ACS Med Chem Lett 2: 538-543 (2011)


Article DOI: 10.1021/ml200070g
BindingDB Entry DOI: 10.7270/Q2NZ88N1
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50380263
PNG
(CHEMBL2017230)
Show SMILES Cc1ccccc1Nc1nc(nc2c(NC3CCCCC3)ncnc12)N1CCNCC1
Show InChI InChI=1S/C23H30N8/c1-16-7-5-6-10-18(16)28-22-19-20(29-23(30-22)31-13-11-24-12-14-31)21(26-15-25-19)27-17-8-3-2-4-9-17/h5-7,10,15,17,24H,2-4,8-9,11-14H2,1H3,(H,25,26,27)(H,28,29,30)
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n/an/a 2.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...


ACS Med Chem Lett 2: 538-543 (2011)


Article DOI: 10.1021/ml200070g
BindingDB Entry DOI: 10.7270/Q2NZ88N1
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50380269
PNG
(CHEMBL2017236)
Show SMILES Cc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCCNCC1
Show InChI InChI=1S/C22H28N8/c1-15-5-2-3-6-17(15)27-21-18-19(20(26-14-25-18)24-13-16-7-8-16)28-22(29-21)30-11-4-9-23-10-12-30/h2-3,5-6,14,16,23H,4,7-13H2,1H3,(H,24,25,26)(H,27,28,29)
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...


ACS Med Chem Lett 2: 538-543 (2011)


Article DOI: 10.1021/ml200070g
BindingDB Entry DOI: 10.7270/Q2NZ88N1
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50380270
PNG
(CHEMBL2017237)
Show SMILES CN1CCN(CC1)c1nc(Nc2ccccc2C)c2ncnc(NCC3CC3)c2n1
Show InChI InChI=1S/C22H28N8/c1-15-5-3-4-6-17(15)26-21-18-19(20(25-14-24-18)23-13-16-7-8-16)27-22(28-21)30-11-9-29(2)10-12-30/h3-6,14,16H,7-13H2,1-2H3,(H,23,24,25)(H,26,27,28)
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...


ACS Med Chem Lett 2: 538-543 (2011)


Article DOI: 10.1021/ml200070g
BindingDB Entry DOI: 10.7270/Q2NZ88N1
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50380271
PNG
(CHEMBL2017238)
Show SMILES Cc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCOCC1
Show InChI InChI=1S/C21H25N7O/c1-14-4-2-3-5-16(14)25-20-17-18(19(24-13-23-17)22-12-15-6-7-15)26-21(27-20)28-8-10-29-11-9-28/h2-5,13,15H,6-12H2,1H3,(H,22,23,24)(H,25,26,27)
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n/an/a>7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...


ACS Med Chem Lett 2: 538-543 (2011)


Article DOI: 10.1021/ml200070g
BindingDB Entry DOI: 10.7270/Q2NZ88N1
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50380273
PNG
(CHEMBL2017240)
Show SMILES Cc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCC(N)CC1
Show InChI InChI=1S/C22H28N8/c1-14-4-2-3-5-17(14)27-21-18-19(20(26-13-25-18)24-12-15-6-7-15)28-22(29-21)30-10-8-16(23)9-11-30/h2-5,13,15-16H,6-12,23H2,1H3,(H,24,25,26)(H,27,28,29)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...


ACS Med Chem Lett 2: 538-543 (2011)


Article DOI: 10.1021/ml200070g
BindingDB Entry DOI: 10.7270/Q2NZ88N1
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50380274
PNG
(CHEMBL2017241)
Show SMILES Cc1ccccc1Nc1nc(NC2CCNCC2)nc2c(NCC3CC3)ncnc12
Show InChI InChI=1S/C22H28N8/c1-14-4-2-3-5-17(14)28-21-18-19(20(26-13-25-18)24-12-15-6-7-15)29-22(30-21)27-16-8-10-23-11-9-16/h2-5,13,15-16,23H,6-12H2,1H3,(H,24,25,26)(H2,27,28,29,30)
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n/an/a 710n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...


ACS Med Chem Lett 2: 538-543 (2011)


Article DOI: 10.1021/ml200070g
BindingDB Entry DOI: 10.7270/Q2NZ88N1
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50380283
PNG
(CHEMBL2017251)
Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCC(CN)CC1
Show InChI InChI=1S/C23H30N8S/c1-32-18-5-3-2-4-17(18)28-22-19-20(21(27-14-26-19)25-13-16-6-7-16)29-23(30-22)31-10-8-15(12-24)9-11-31/h2-5,14-16H,6-13,24H2,1H3,(H,25,26,27)(H,28,29,30)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...


ACS Med Chem Lett 2: 538-543 (2011)


Article DOI: 10.1021/ml200070g
BindingDB Entry DOI: 10.7270/Q2NZ88N1
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50380242
PNG
(CHEMBL2017210)
Show SMILES C(Nc1ncnc2c(Nc3ccccc3)nc(nc12)N1CCNCC1)C1CC1
Show InChI InChI=1S/C20H24N8/c1-2-4-15(5-3-1)25-19-16-17(18(24-13-23-16)22-12-14-6-7-14)26-20(27-19)28-10-8-21-9-11-28/h1-5,13-14,21H,6-12H2,(H,22,23,24)(H,25,26,27)
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n/an/a 3.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...


ACS Med Chem Lett 2: 538-543 (2011)


Article DOI: 10.1021/ml200070g
BindingDB Entry DOI: 10.7270/Q2NZ88N1
More data for this
Ligand-Target Pair