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Patent code US9512082

Compile Data Set for Download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM258436
PNG
(US9512082, 1)
Show SMILES COc1ccc(NC(=O)NCCCn2cncc2C)cc1OC
Show InChI InChI=1S/C16H22N4O3/c1-12-10-17-11-20(12)8-4-7-18-16(21)19-13-5-6-14(22-2)15(9-13)23-3/h5-6,9-11H,4,7-8H2,1-3H3,(H2,18,19,21)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem
US Patent
31.2n/a 192n/an/an/an/an/an/a



PROBIODRUG AG

US Patent


Assay Description
For inhibitor testing, the sample composition was the same as described below, except of the putative inhibitory compound added. For a rapid test of ...


Citation and Details
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM258437
PNG
(US9512082, 2)
Show SMILES COc1ccc(NC(=O)NCCCn2cncc2C)cc1OC1CCCC1
Show InChI InChI=1S/C20H28N4O3/c1-15-13-21-14-24(15)11-5-10-22-20(25)23-16-8-9-18(26-2)19(12-16)27-17-6-3-4-7-17/h8-9,12-14,17H,3-7,10-11H2,1-2H3,(H2,22,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
60n/a 343n/an/an/an/an/an/a



PROBIODRUG AG

US Patent


Assay Description
For inhibitor testing, the sample composition was the same as described below, except of the putative inhibitory compound added. For a rapid test of ...


Citation and Details
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM258442
PNG
(US9512082, 7)
Show SMILES COc1ccc(CNC(=O)Nc2ccc3[nH]cnc3c2)cc1OC
Show InChI InChI=1S/C17H18N4O3/c1-23-15-6-3-11(7-16(15)24-2)9-18-17(22)21-12-4-5-13-14(8-12)20-10-19-13/h3-8,10H,9H2,1-2H3,(H,19,20)(H2,18,21,22)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
171n/a 1.67E+3n/an/an/an/an/an/a



PROBIODRUG AG

US Patent


Assay Description
For inhibitor testing, the sample composition was the same as described below, except of the putative inhibitory compound added. For a rapid test of ...


Citation and Details
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM258441
PNG
(US9512082, 6)
Show SMILES COc1ccc(NC(=O)NCc2ccc3nc[nH]c3c2)cc1OC
Show InChI InChI=1S/C17H18N4O3/c1-23-15-6-4-12(8-16(15)24-2)21-17(22)18-9-11-3-5-13-14(7-11)20-10-19-13/h3-8,10H,9H2,1-2H3,(H,19,20)(H2,18,21,22)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
458n/a 4.25E+3n/an/an/an/an/an/a



PROBIODRUG AG

US Patent


Assay Description
For inhibitor testing, the sample composition was the same as described below, except of the putative inhibitory compound added. For a rapid test of ...


Citation and Details
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM258438
PNG
(US9512082, 3)
Show SMILES COc1ccc(NC(=O)NCCCn2cnc(C)c2)cc1OC
Show InChI InChI=1S/C16H22N4O3/c1-12-10-20(11-18-12)8-4-7-17-16(21)19-13-5-6-14(22-2)15(9-13)23-3/h5-6,9-11H,4,7-8H2,1-3H3,(H2,17,19,21)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
1.77E+3n/a 1.40E+4n/an/an/an/an/an/a



PROBIODRUG AG

US Patent


Assay Description
For inhibitor testing, the sample composition was the same as described below, except of the putative inhibitory compound added. For a rapid test of ...


Citation and Details
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM258440
PNG
(US9512082, 5)
Show SMILES COc1ccc(NC(=O)Nc2ccc3[nH]cnc3c2)cc1OC
Show InChI InChI=1S/C16H16N4O3/c1-22-14-6-4-11(8-15(14)23-2)20-16(21)19-10-3-5-12-13(7-10)18-9-17-12/h3-9H,1-2H3,(H,17,18)(H2,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
2.98E+3n/a 2.62E+4n/an/an/an/an/an/a



PROBIODRUG AG

US Patent


Assay Description
For inhibitor testing, the sample composition was the same as described below, except of the putative inhibitory compound added. For a rapid test of ...


Citation and Details
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM258439
PNG
(US9512082, 4)
Show SMILES COc1ccc(NC(=O)NCCCn2cnc(C)c2)cc1OC1CCCC1
Show InChI InChI=1S/C20H28N4O3/c1-15-13-24(14-22-15)11-5-10-21-20(25)23-16-8-9-18(26-2)19(12-16)27-17-6-3-4-7-17/h8-9,12-14,17H,3-7,10-11H2,1-2H3,(H2,21,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 9.82E+3n/an/an/an/an/an/a



PROBIODRUG AG

US Patent


Assay Description
For inhibitor testing, the sample composition was the same as described below, except of the putative inhibitory compound added. For a rapid test of ...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%