BindingDB logo
myBDB logout

Patent code US8536193

Compile Data Set for Download or QSAR
Found 14 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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM9048
PNG
(US8536193, 10-5)
Show SMILES N[C@]1(C[C@](O)(C1)C1CC1)c1ccc(cc1)-c1nc2ccc3nnc(C(F)F)n3c2cc1-c1ccccc1 |r,wU:3.6,1.0,wD:3.3,(13.13,-7.57,;11.8,-6.8,;10.71,-5.71,;11.8,-4.62,;12.57,-3.29,;12.89,-5.71,;11.03,-3.29,;9.69,-2.52,;11.03,-1.75,;10.46,-7.57,;10.46,-9.11,;9.13,-9.88,;7.8,-9.11,;7.8,-7.57,;9.13,-6.8,;6.46,-9.88,;5.13,-9.11,;3.8,-9.88,;2.46,-9.11,;1.13,-9.88,;1.13,-11.42,;-.02,-12.45,;.61,-13.86,;2.14,-13.7,;3.23,-14.79,;2.83,-16.27,;4.72,-14.39,;2.46,-12.19,;3.8,-11.42,;5.13,-12.19,;6.46,-11.42,;7.8,-12.19,;7.8,-13.73,;9.13,-14.5,;10.46,-13.73,;10.46,-12.19,;9.13,-11.42,)|
Show InChI InChI=1S/C29H25F2N5O/c30-26(31)27-35-34-24-13-12-22-23(36(24)27)14-21(17-4-2-1-3-5-17)25(33-22)18-6-8-19(9-7-18)28(32)15-29(37,16-28)20-10-11-20/h1-9,12-14,20,26,37H,10-11,15-16,32H2/t28-,29-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 0.340n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...

US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM102310
PNG
(US8536193, 10-4)
Show SMILES C[C@@]1(O)C[C@@](N)(C1)c1ccc(cc1)-c1nc2ccc3nnc(C(F)F)n3c2cc1-c1ccccc1 |r,wU:1.0,4.4,wD:1.1,(11.03,-3.29,;11.8,-4.62,;12.57,-3.29,;12.89,-5.71,;11.8,-6.8,;13.13,-7.57,;10.71,-5.71,;10.46,-7.57,;10.46,-9.11,;9.13,-9.88,;7.8,-9.11,;7.8,-7.57,;9.13,-6.8,;6.46,-9.88,;5.13,-9.11,;3.8,-9.88,;2.46,-9.11,;1.13,-9.88,;1.13,-11.42,;-.02,-12.45,;.61,-13.86,;2.14,-13.7,;3.23,-14.79,;2.83,-16.27,;4.72,-14.39,;2.46,-12.19,;3.8,-11.42,;5.13,-12.19,;6.46,-11.42,;7.8,-12.19,;7.8,-13.73,;9.13,-14.5,;10.46,-13.73,;10.46,-12.19,;9.13,-11.42,)|
Show InChI InChI=1S/C27H23F2N5O/c1-26(35)14-27(30,15-26)18-9-7-17(8-10-18)23-19(16-5-3-2-4-6-16)13-21-20(31-23)11-12-22-32-33-25(24(28)29)34(21)22/h2-13,24,35H,14-15,30H2,1H3/t26-,27-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 0.380n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...

US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM8727
PNG
(US8536193, 7-26)
Show SMILES N[C@]1(C[C@](O)(C1)C1CC1)c1ccc(cc1)-c1nc2ccc3nnc(C4NCNN4)n3c2cc1-c1ccccc1 |r,wU:3.3,wD:3.6,1.0,(13.13,-7.57,;11.8,-6.8,;12.89,-5.71,;11.8,-4.62,;11.03,-3.29,;10.71,-5.71,;12.57,-3.29,;13.9,-2.52,;12.57,-1.75,;10.46,-7.57,;10.46,-9.11,;9.13,-9.88,;7.8,-9.11,;7.8,-7.57,;9.13,-6.8,;6.46,-9.88,;5.13,-9.11,;3.8,-9.88,;2.46,-9.11,;1.13,-9.88,;1.13,-11.42,;-.02,-12.45,;.61,-13.86,;2.14,-13.7,;3.23,-14.79,;4.76,-14.63,;5.39,-16.03,;4.24,-17.06,;2.91,-16.29,;2.46,-12.19,;3.8,-11.42,;5.13,-12.19,;6.46,-11.42,;7.8,-12.19,;7.8,-13.73,;9.13,-14.5,;10.46,-13.73,;10.46,-12.19,;9.13,-11.42,)|
Show InChI InChI=1S/C30H30N8O/c31-29(15-30(39,16-29)21-10-11-21)20-8-6-19(7-9-20)26-22(18-4-2-1-3-5-18)14-24-23(34-26)12-13-25-35-37-28(38(24)25)27-32-17-33-36-27/h1-9,12-14,21,27,32-33,36,39H,10-11,15-17,31H2/t27?,29-,30-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...

US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM102310
PNG
(US8536193, 10-4)
Show SMILES C[C@@]1(O)C[C@@](N)(C1)c1ccc(cc1)-c1nc2ccc3nnc(C(F)F)n3c2cc1-c1ccccc1 |r,wU:1.0,4.4,wD:1.1,(11.03,-3.29,;11.8,-4.62,;12.57,-3.29,;12.89,-5.71,;11.8,-6.8,;13.13,-7.57,;10.71,-5.71,;10.46,-7.57,;10.46,-9.11,;9.13,-9.88,;7.8,-9.11,;7.8,-7.57,;9.13,-6.8,;6.46,-9.88,;5.13,-9.11,;3.8,-9.88,;2.46,-9.11,;1.13,-9.88,;1.13,-11.42,;-.02,-12.45,;.61,-13.86,;2.14,-13.7,;3.23,-14.79,;2.83,-16.27,;4.72,-14.39,;2.46,-12.19,;3.8,-11.42,;5.13,-12.19,;6.46,-11.42,;7.8,-12.19,;7.8,-13.73,;9.13,-14.5,;10.46,-13.73,;10.46,-12.19,;9.13,-11.42,)|
Show InChI InChI=1S/C27H23F2N5O/c1-26(35)14-27(30,15-26)18-9-7-17(8-10-18)23-19(16-5-3-2-4-6-16)13-21-20(31-23)11-12-22-32-33-25(24(28)29)34(21)22/h2-13,24,35H,14-15,30H2,1H3/t26-,27-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.70n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...

US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM102311
PNG
(US8536193, 2-1)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccc(=N)n(C(=N)c3ccccc3)c2cc1-c1ccccc1
Show InChI InChI=1S/C31H27N5/c32-28-17-16-26-27(36(28)30(33)23-10-5-2-6-11-23)20-25(21-8-3-1-4-9-21)29(35-26)22-12-14-24(15-13-22)31(34)18-7-19-31/h1-6,8-17,20,32-33H,7,18-19,34H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.30n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...

US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM102307
PNG
(US8536193, 3-1)
Show SMILES NC(=N)n1c2cc(-c3ccccc3)c(nc2ccc1=N)-c1ccc(cc1)C1(N)CCC1
Show InChI InChI=1S/C25H24N6/c26-22-12-11-20-21(31(22)24(27)28)15-19(16-5-2-1-3-6-16)23(30-20)17-7-9-18(10-8-17)25(29)13-4-14-25/h1-3,5-12,15,26H,4,13-14,29H2,(H3,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 6.10n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...

US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM102308
PNG
(US8536193, 4-1)
Show SMILES CC(=N)n1c2cc(-c3ccccc3)c(nc2ccc1=N)-c1ccc(cc1)C1(N)CCC1
Show InChI InChI=1S/C26H25N5/c1-17(27)31-23-16-21(18-6-3-2-4-7-18)25(30-22(23)12-13-24(31)28)19-8-10-20(11-9-19)26(29)14-5-15-26/h2-4,6-13,16,27-28H,5,14-15,29H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 8.20n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...

US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM102309
PNG
(US8536193, 5-12)
Show SMILES NC1(CC(F)(F)C1)c1ccc(cc1)-c1nc2ccc(=N)n(C(=N)c3ccccc3)c2cc1-c1ccccc1
Show InChI InChI=1S/C31H25F2N5/c32-31(33)18-30(36,19-31)23-13-11-21(12-14-23)28-24(20-7-3-1-4-8-20)17-26-25(37-28)15-16-27(34)38(26)29(35)22-9-5-2-6-10-22/h1-17,34-35H,18-19,36H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 10n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...

US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM102307
PNG
(US8536193, 3-1)
Show SMILES NC(=N)n1c2cc(-c3ccccc3)c(nc2ccc1=N)-c1ccc(cc1)C1(N)CCC1
Show InChI InChI=1S/C25H24N6/c26-22-12-11-20-21(31(22)24(27)28)15-19(16-5-2-1-3-6-16)23(30-20)17-7-9-18(10-8-17)25(29)13-4-14-25/h1-3,5-12,15,26H,4,13-14,29H2,(H3,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 24n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...

US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM102311
PNG
(US8536193, 2-1)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccc(=N)n(C(=N)c3ccccc3)c2cc1-c1ccccc1
Show InChI InChI=1S/C31H27N5/c32-28-17-16-26-27(36(28)30(33)23-10-5-2-6-11-23)20-25(21-8-3-1-4-9-21)29(35-26)22-12-14-24(15-13-22)31(34)18-7-19-31/h1-6,8-17,20,32-33H,7,18-19,34H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 32n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...

US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM102312
PNG
(US8536193, 1-9)
Show SMILES NC(=O)n1c2cc(-c3ccccc3)c(nc2ccc1=N)-c1ccc(cc1)C1(CCC1)NC(=O)Cc1cccnc1
Show InChI InChI=1S/C32H28N6O2/c33-28-14-13-26-27(38(28)31(34)40)19-25(22-7-2-1-3-8-22)30(36-26)23-9-11-24(12-10-23)32(15-5-16-32)37-29(39)18-21-6-4-17-35-20-21/h1-4,6-14,17,19-20,33H,5,15-16,18H2,(H2,34,40)(H,37,39)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 39n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...

US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM102308
PNG
(US8536193, 4-1)
Show SMILES CC(=N)n1c2cc(-c3ccccc3)c(nc2ccc1=N)-c1ccc(cc1)C1(N)CCC1
Show InChI InChI=1S/C26H25N5/c1-17(27)31-23-16-21(18-6-3-2-4-7-18)25(30-22(23)12-13-24(31)28)19-8-10-20(11-9-19)26(29)14-5-15-26/h2-4,6-13,16,27-28H,5,14-15,29H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 50n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...

US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM102309
PNG
(US8536193, 5-12)
Show SMILES NC1(CC(F)(F)C1)c1ccc(cc1)-c1nc2ccc(=N)n(C(=N)c3ccccc3)c2cc1-c1ccccc1
Show InChI InChI=1S/C31H25F2N5/c32-31(33)18-30(36,19-31)23-13-11-21(12-14-23)28-24(20-7-3-1-4-8-20)17-26-25(37-28)15-16-27(34)38(26)29(35)22-9-5-2-6-10-22/h1-17,34-35H,18-19,36H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 140n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...

US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM102312
PNG
(US8536193, 1-9)
Show SMILES NC(=O)n1c2cc(-c3ccccc3)c(nc2ccc1=N)-c1ccc(cc1)C1(CCC1)NC(=O)Cc1cccnc1
Show InChI InChI=1S/C32H28N6O2/c33-28-14-13-26-27(38(28)31(34)40)19-25(22-7-2-1-3-8-22)30(36-26)23-9-11-24(12-10-23)32(15-5-16-32)37-29(39)18-21-6-4-17-35-20-21/h1-4,6-14,17,19-20,33H,5,15-16,18H2,(H2,34,40)(H,37,39)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...

US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%