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Patent code US9676792

Compile Data Set for Download or QSAR
Found 4 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
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM50434069
PNG
(CHEMBL2381339 | US9676792, Compound 24)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3cccc4CCN(c34)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C32H38N8O3/c1-36-15-17-38(18-16-36)23-10-12-39(13-11-23)30(41)22-7-8-25(27(19-22)43-3)34-32-33-20-26-29(35-32)40-14-9-21-5-4-6-24(28(21)40)31(42)37(26)2/h4-8,19-20,23H,9-18H2,1-3H3,(H,33,34,35)
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro kinase assays were conducted at Invitrogen (Madison, Wis.) using the SelectScreen Kinase Profiling Service.


Citation and Details
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM199090
PNG
(US9676792, Compound 26 | XMD17-109)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C35H44N8O3/c1-39-18-20-41(21-19-39)25-14-16-42(17-15-25)33(44)24-12-13-28(31(22-24)46-3)37-35-36-23-30-32(38-35)43(26-8-4-5-9-26)29-11-7-6-10-27(29)34(45)40(30)2/h6-7,10-13,22-23,25-26H,4-5,8-9,14-21H2,1-3H3,(H,36,37,38)
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
PDB
UniChem
US Patent
n/an/a 162n/a 90n/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Kinase activity was determined in an assay volume of 40 μl in kinase buffer (50 mM Tris-HCl, pH 7.5, 0.1 mM EGTA, 1 mM 2-mercaptoethanol) contai...


Citation and Details
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50434069
PNG
(CHEMBL2381339 | US9676792, Compound 24)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3cccc4CCN(c34)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C32H38N8O3/c1-36-15-17-38(18-16-36)23-10-12-39(13-11-23)30(41)22-7-8-25(27(19-22)43-3)34-32-33-20-26-29(35-32)40-14-9-21-5-4-6-24(28(21)40)31(42)37(26)2/h4-8,19-20,23H,9-18H2,1-3H3,(H,33,34,35)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 199n/a 260n/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Kinase activity was determined in an assay volume of 40 μl in kinase buffer (50 mM Tris-HCl, pH 7.5, 0.1 mM EGTA, 1 mM 2-mercaptoethanol) contai...


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM199090
PNG
(US9676792, Compound 26 | XMD17-109)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C35H44N8O3/c1-39-18-20-41(21-19-39)25-14-16-42(17-15-25)33(44)24-12-13-28(31(22-24)46-3)37-35-36-23-30-32(38-35)43(26-8-4-5-9-26)29-11-7-6-10-27(29)34(45)40(30)2/h6-7,10-13,22-23,25-26H,4-5,8-9,14-21H2,1-3H3,(H,36,37,38)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
US Patent
n/an/a 339n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro kinase assays were conducted at Invitrogen (Madison, Wis.) using the SelectScreen Kinase Profiling Service.


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