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5 similar compounds to monomer 130624

Compile data set for download or QSAR
Wt: 385.4
BDBM130617
Wt: 441.5
BDBM130618
Wt: 413.5
BDBM130620
Wt: 427.5
BDBM130622
Wt: 441.5
BDBM130623

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 130617,130618,130620,130622,130623   
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))
BDBM130617
PNG
(US8822447, 97)
Show SMILES Cc1nn(-c2ccccc2)c2nc(cc(O)c12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H23N5O/c1-16-22-21(29)15-20(25-23(22)28(26-16)19-5-3-2-4-6-19)17-7-9-18(10-8-17)27-13-11-24-12-14-27/h2-10,15,24H,11-14H2,1H3,(H,25,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.71E+3n/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130618
PNG
(US8822447, 98 | US9771375, Example 98)
Show SMILES CCc1nn(-c2ccccc2)c2nc(cc(OC)c12)-c1ccc(cc1)N1CC(C)NC(C)C1
Show InChI InChI=1S/C27H31N5O/c1-5-23-26-25(33-4)15-24(29-27(26)32(30-23)22-9-7-6-8-10-22)20-11-13-21(14-12-20)31-16-18(2)28-19(3)17-31/h6-15,18-19,28H,5,16-17H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 300n/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130620
PNG
(US8822447, 100 | US9771375, Example 100)
Show SMILES CCc1nn(-c2ccccc2)c2nc(cc(O)c12)-c1ccc(NC2CCNCC2)cc1
Show InChI InChI=1S/C25H27N5O/c1-2-21-24-23(31)16-22(28-25(24)30(29-21)20-6-4-3-5-7-20)17-8-10-18(11-9-17)27-19-12-14-26-15-13-19/h3-11,16,19,26-27H,2,12-15H2,1H3,(H,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.72E+3n/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130622
PNG
(US8822447, 102 | US9771375, Example 102)
Show SMILES CCOc1cc(nc2n(nc(CC)c12)-c1ccccc1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H29N5O/c1-3-22-25-24(32-4-2)18-23(28-26(25)31(29-22)21-8-6-5-7-9-21)19-10-12-20(13-11-19)30-16-14-27-15-17-30/h5-13,18,27H,3-4,14-17H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.43E+3n/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130623
PNG
(US8822447, 103 | US9771375, Example 103)
Show SMILES CCOc1cc(nc2n(nc(CC)c12)-c1ccccc1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C27H31N5O/c1-4-23-26-25(33-5-2)19-24(28-27(26)32(29-23)22-9-7-6-8-10-22)20-11-13-21(14-12-20)31-17-15-30(3)16-18-31/h6-14,19H,4-5,15-18H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 660n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130618
PNG
(US8822447, 98 | US9771375, Example 98)
Show SMILES CCc1nn(-c2ccccc2)c2nc(cc(OC)c12)-c1ccc(cc1)N1CC(C)NC(C)C1
Show InChI InChI=1S/C27H31N5O/c1-5-23-26-25(33-4)15-24(29-27(26)32(30-23)22-9-7-6-8-10-22)20-11-13-21(14-12-20)31-16-18(2)28-19(3)17-31/h6-15,18-19,28H,5,16-17H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 300n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130620
PNG
(US8822447, 100 | US9771375, Example 100)
Show SMILES CCc1nn(-c2ccccc2)c2nc(cc(O)c12)-c1ccc(NC2CCNCC2)cc1
Show InChI InChI=1S/C25H27N5O/c1-2-21-24-23(31)16-22(28-25(24)30(29-21)20-6-4-3-5-7-20)17-8-10-18(11-9-17)27-19-12-14-26-15-13-19/h3-11,16,19,26-27H,2,12-15H2,1H3,(H,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.72E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130622
PNG
(US8822447, 102 | US9771375, Example 102)
Show SMILES CCOc1cc(nc2n(nc(CC)c12)-c1ccccc1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H29N5O/c1-3-22-25-24(32-4-2)18-23(28-26(25)31(29-22)21-8-6-5-7-9-21)19-10-12-20(13-11-19)30-16-14-27-15-17-30/h5-13,18,27H,3-4,14-17H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.43E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130623
PNG
(US8822447, 103 | US9771375, Example 103)
Show SMILES CCOc1cc(nc2n(nc(CC)c12)-c1ccccc1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C27H31N5O/c1-4-23-26-25(33-5-2)19-24(28-27(26)32(29-23)22-9-7-6-8-10-22)20-11-13-21(14-12-20)31-17-15-30(3)16-18-31/h6-14,19H,4-5,15-18H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 660n/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
More data for this
Ligand-Target Pair