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4 similar compounds to monomer 130654

Compile data set for download or QSAR
Wt: 351.4
BDBM130644
Wt: 365.4
BDBM130653
Wt: 351.4
BDBM130655
Wt: 351.5
BDBM130667

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 130644,130653,130655,130667   
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))
BDBM130644
PNG
(US8822447, 142 | US9771375, Example 142)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(=O)C1CCNCC1
Show InChI InChI=1S/C20H21N3OS/c1-25-20-17-8-7-15(19(24)14-9-11-21-12-10-14)13-18(17)23(22-20)16-5-3-2-4-6-16/h2-8,13-14,21H,9-12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 670n/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))
BDBM130653
PNG
(US8822447, 160 | US9771375, Example 160)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(=O)CC1CCNCC1
Show InChI InChI=1S/C21H23N3OS/c1-26-21-18-8-7-16(20(25)13-15-9-11-22-12-10-15)14-19(18)24(23-21)17-5-3-2-4-6-17/h2-8,14-15,22H,9-13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.00E+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))
BDBM130655
PNG
(US8822447, 163 | US9771375, Example 163)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(=O)CC1CCCN1
Show InChI InChI=1S/C20H21N3OS/c1-25-20-17-10-9-14(19(24)13-15-6-5-11-21-15)12-18(17)23(22-20)16-7-3-2-4-8-16/h2-4,7-10,12,15,21H,5-6,11,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.28E+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))
BDBM130667
PNG
(US8822447, 185 | US9771375, Example 185)
Show SMILES CSc1nn(-c2ccccc2)c2cc(CCC3CCNCC3)ccc12
Show InChI InChI=1S/C21H25N3S/c1-25-21-19-10-9-17(8-7-16-11-13-22-14-12-16)15-20(19)24(23-21)18-5-3-2-4-6-18/h2-6,9-10,15-16,22H,7-8,11-14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 920n/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))
BDBM130644
PNG
(US8822447, 142 | US9771375, Example 142)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(=O)C1CCNCC1
Show InChI InChI=1S/C20H21N3OS/c1-25-20-17-8-7-15(19(24)14-9-11-21-12-10-14)13-18(17)23(22-20)16-5-3-2-4-6-16/h2-8,13-14,21H,9-12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 670n/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))
BDBM130653
PNG
(US8822447, 160 | US9771375, Example 160)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(=O)CC1CCNCC1
Show InChI InChI=1S/C21H23N3OS/c1-26-21-18-8-7-16(20(25)13-15-9-11-22-12-10-15)14-19(18)24(23-21)17-5-3-2-4-6-17/h2-8,14-15,22H,9-13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.00E+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))
BDBM130655
PNG
(US8822447, 163 | US9771375, Example 163)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(=O)CC1CCCN1
Show InChI InChI=1S/C20H21N3OS/c1-25-20-17-10-9-14(19(24)13-15-6-5-11-21-15)12-18(17)23(22-20)16-7-3-2-4-8-16/h2-4,7-10,12,15,21H,5-6,11,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.28E+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))
BDBM130667
PNG
(US8822447, 185 | US9771375, Example 185)
Show SMILES CSc1nn(-c2ccccc2)c2cc(CCC3CCNCC3)ccc12
Show InChI InChI=1S/C21H25N3S/c1-25-21-19-10-9-17(8-7-16-11-13-22-14-12-16)15-20(19)24(23-21)18-5-3-2-4-6-18/h2-6,9-10,15-16,22H,7-8,11-14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 920n/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