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Patent code US9333205

Compile Data Set for Download or QSAR
Found 6 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
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM227457
PNG
(US9333205, 61)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)-c1onc(C(=O)N[C@@H](CN)c3ccccc3)c1CC2(C)C)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C34H40N8O4/c1-34(2)17-23-28(32(44)38-26(18-35)20-8-6-5-7-9-20)41-46-30(23)29-24(34)19-36-33(40-29)39-25-11-10-21(16-27(25)45-4)31(43)37-22-12-14-42(3)15-13-22/h5-11,16,19,22,26H,12-15,17-18,35H2,1-4H3,(H,37,43)(H,38,44)(H,36,39,40)/t26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 240n/an/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM227457
PNG
(US9333205, 61)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)-c1onc(C(=O)N[C@@H](CN)c3ccccc3)c1CC2(C)C)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C34H40N8O4/c1-34(2)17-23-28(32(44)38-26(18-35)20-8-6-5-7-9-20)41-46-30(23)29-24(34)19-36-33(40-29)39-25-11-10-21(16-27(25)45-4)31(43)37-22-12-14-42(3)15-13-22/h5-11,16,19,22,26H,12-15,17-18,35H2,1-4H3,(H,37,43)(H,38,44)(H,36,39,40)/t26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 360n/an/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM227455
PNG
(US9333205, 30)
Show SMILES COc1cc(ccc1Nc1ncc2CC(C)(C)c3c(noc3C(N)=O)-c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C26H31N7O4/c1-26(2)12-15-13-28-25(31-20(15)21-19(26)22(23(27)34)37-32-21)30-17-6-5-14(11-18(17)36-4)24(35)29-16-7-9-33(3)10-8-16/h5-6,11,13,16H,7-10,12H2,1-4H3,(H2,27,34)(H,29,35)(H,28,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 400n/an/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM227456
PNG
(US9333205, 55)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)-c1onc(C(N)=O)c1CC2(C)C)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C26H31N7O4/c1-26(2)12-16-20(23(27)34)32-37-22(16)21-17(26)13-28-25(31-21)30-18-6-5-14(11-19(18)36-4)24(35)29-15-7-9-33(3)10-8-15/h5-6,11,13,15H,7-10,12H2,1-4H3,(H2,27,34)(H,29,35)(H,28,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 510n/an/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM227455
PNG
(US9333205, 30)
Show SMILES COc1cc(ccc1Nc1ncc2CC(C)(C)c3c(noc3C(N)=O)-c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C26H31N7O4/c1-26(2)12-15-13-28-25(31-20(15)21-19(26)22(23(27)34)37-32-21)30-17-6-5-14(11-18(17)36-4)24(35)29-16-7-9-33(3)10-8-16/h5-6,11,13,16H,7-10,12H2,1-4H3,(H2,27,34)(H,29,35)(H,28,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 680n/an/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM227456
PNG
(US9333205, 55)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)-c1onc(C(N)=O)c1CC2(C)C)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C26H31N7O4/c1-26(2)12-16-20(23(27)34)32-37-22(16)21-17(26)13-28-25(31-21)30-18-6-5-14(11-19(18)36-4)24(35)29-15-7-9-33(3)10-8-15/h5-6,11,13,15H,7-10,12H2,1-4H3,(H2,27,34)(H,29,35)(H,28,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.44E+3n/an/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


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