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5 similar compounds to monomer 130545

Compile data set for download or QSAR
Wt: 367.4
BDBM130544
Wt: 393.5
BDBM130560
Wt: 407.5
BDBM130561
Wt: 421.5
BDBM130563
Wt: 338.4
BDBM130626

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 130544,130560,130561,130563,130626   
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))
BDBM130544
PNG
(US8822447, 4 | US9771375, Example 4)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)NC3CCNC3)ccc12
Show InChI InChI=1S/C19H21N5OS/c1-26-18-16-8-7-13(21-19(25)22-14-9-10-20-12-14)11-17(16)24(23-18)15-5-3-2-4-6-15/h2-8,11,14,20H,9-10,12H2,1H3,(H2,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 450n/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))
BDBM130560
PNG
(US8822447, 25 | US9771375, Example 25)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(C2CCNC2)C1=O
Show InChI InChI=1S/C21H23N5OS/c1-28-20-18-8-7-16(13-19(18)26(23-20)15-5-3-2-4-6-15)24-11-12-25(21(24)27)17-9-10-22-14-17/h2-8,13,17,22H,9-12,14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 460n/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))
BDBM130561
PNG
(US8822447, 26 | US9771375, Example 26)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(C2CCNCC2)C1=O
Show InChI InChI=1S/C22H25N5OS/c1-29-21-19-8-7-18(15-20(19)27(24-21)17-5-3-2-4-6-17)26-14-13-25(22(26)28)16-9-11-23-12-10-16/h2-8,15-16,23H,9-14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.47E+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))
BDBM130563
PNG
(US8822447, 28 | US9771375, Example 28)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC2CCCNC2)C1=O
Show InChI InChI=1S/C23H27N5OS/c1-30-22-20-10-9-19(14-21(20)28(25-22)18-7-3-2-4-8-18)27-13-12-26(23(27)29)16-17-6-5-11-24-15-17/h2-4,7-10,14,17,24H,5-6,11-13,15-16H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.04E+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))
BDBM130626
PNG
(US8822447, 109 | US9771375, Example 109)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC3CCNCC3)ccc12
Show InChI InChI=1S/C19H22N4S/c1-24-19-17-8-7-15(21-14-9-11-20-12-10-14)13-18(17)23(22-19)16-5-3-2-4-6-16/h2-8,13-14,20-21H,9-12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 770n/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))
BDBM130544
PNG
(US8822447, 4 | US9771375, Example 4)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)NC3CCNC3)ccc12
Show InChI InChI=1S/C19H21N5OS/c1-26-18-16-8-7-13(21-19(25)22-14-9-10-20-12-14)11-17(16)24(23-18)15-5-3-2-4-6-15/h2-8,11,14,20H,9-10,12H2,1H3,(H2,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 450n/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))
BDBM130560
PNG
(US8822447, 25 | US9771375, Example 25)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(C2CCNC2)C1=O
Show InChI InChI=1S/C21H23N5OS/c1-28-20-18-8-7-16(13-19(18)26(23-20)15-5-3-2-4-6-15)24-11-12-25(21(24)27)17-9-10-22-14-17/h2-8,13,17,22H,9-12,14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 460n/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))
BDBM130561
PNG
(US8822447, 26 | US9771375, Example 26)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(C2CCNCC2)C1=O
Show InChI InChI=1S/C22H25N5OS/c1-29-21-19-8-7-18(15-20(19)27(24-21)17-5-3-2-4-6-17)26-14-13-25(22(26)28)16-9-11-23-12-10-16/h2-8,15-16,23H,9-14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.47E+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))
BDBM130563
PNG
(US8822447, 28 | US9771375, Example 28)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC2CCCNC2)C1=O
Show InChI InChI=1S/C23H27N5OS/c1-30-22-20-10-9-19(14-21(20)28(25-22)18-7-3-2-4-8-18)27-13-12-26(23(27)29)16-17-6-5-11-24-15-17/h2-4,7-10,14,17,24H,5-6,11-13,15-16H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.04E+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))
BDBM130626
PNG
(US8822447, 109 | US9771375, Example 109)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC3CCNCC3)ccc12
Show InChI InChI=1S/C19H22N4S/c1-24-19-17-8-7-15(21-14-9-11-20-12-10-14)13-18(17)23(22-19)16-5-3-2-4-6-16/h2-8,13-14,20-21H,9-12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 770n/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