BindingDB logo
myBDB logout

PubMed code 20347317

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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50316021
PNG
((S)-N-((6S,9S,12S,15S,18S)-1-amino-18-carbamoyl-12...)
Show SMILES [#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C41H70N14O8S/c1-4-8-28(34(58)53-30(21-24-13-15-25(56)16-14-24)36(60)54-31(22-64)37(61)50-27(33(43)57)17-12-23(2)3)51-35(59)29(10-6-19-49-41(46)47)52-38(62)32-11-7-20-55(32)39(63)26(42)9-5-18-48-40(44)45/h13-16,23,26-32,56,64H,4-12,17-22,42H2,1-3H3,(H2,43,57)(H,50,61)(H,51,59)(H,52,62)(H,53,58)(H,54,60)(H4,44,45,48)(H4,46,47,49)/t26-,27-,28-,29-,30-,31+,32-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of PKB by radioactive kinase assay


Bioorg Med Chem 18: 2976-85 (2010)


Article DOI: 10.1016/j.bmc.2010.02.031
BindingDB Entry DOI: 10.7270/Q2KD1Z2W
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50316022
PNG
((S)-N-((6S,9S,12S,15S,18S)-1-amino-15-(aminomethyl...)
Show SMILES [#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C47H83N19O9/c1-4-9-31(39(70)64-34(24-27-15-17-28(67)18-16-27)41(72)65-35(25-48)42(73)60-30(37(50)68)19-14-26(2)3)61-40(71)32(11-6-21-58-46(53)54)62-43(74)36-13-8-23-66(36)44(75)33(12-7-22-59-47(55)56)63-38(69)29(49)10-5-20-57-45(51)52/h15-18,26,29-36,67H,4-14,19-25,48-49H2,1-3H3,(H2,50,68)(H,60,73)(H,61,71)(H,62,74)(H,63,69)(H,64,70)(H,65,72)(H4,51,52,57)(H4,53,54,58)(H4,55,56,59)/t29-,30-,31-,32-,33-,34-,35-,36-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 840n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of PKB by radioactive kinase assay


Bioorg Med Chem 18: 2976-85 (2010)


Article DOI: 10.1016/j.bmc.2010.02.031
BindingDB Entry DOI: 10.7270/Q2KD1Z2W
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50316025
PNG
((S)-N-((6S,9S,12S,15S,18S)-1-amino-15-(aminomethyl...)
Show SMILES [#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C42H73N15O8/c1-5-9-28(35(60)55-31(22-25-14-16-26(58)17-15-25)37(62)56-32(23-43)38(63)52-27(34(44)59)18-13-24(2)3)53-36(61)29(10-6-19-50-41(45)46)54-39(64)33-12-8-21-57(33)40(65)30(49-4)11-7-20-51-42(47)48/h14-17,24,27-33,49,58H,5-13,18-23,43H2,1-4H3,(H2,44,59)(H,52,63)(H,53,61)(H,54,64)(H,55,60)(H,56,62)(H4,45,46,50)(H4,47,48,51)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 920n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of PKB by radioactive kinase assay


Bioorg Med Chem 18: 2976-85 (2010)


Article DOI: 10.1016/j.bmc.2010.02.031
BindingDB Entry DOI: 10.7270/Q2KD1Z2W
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50316026
PNG
((S)-N-((6S,9S,12S,15S,18S)-1-amino-15-(aminomethyl...)
Show SMILES [#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C41H71N15O8/c1-4-8-28(34(59)54-30(21-24-13-15-25(57)16-14-24)36(61)55-31(22-42)37(62)51-27(33(44)58)17-12-23(2)3)52-35(60)29(10-6-19-50-41(47)48)53-38(63)32-11-7-20-56(32)39(64)26(43)9-5-18-49-40(45)46/h13-16,23,26-32,57H,4-12,17-22,42-43H2,1-3H3,(H2,44,58)(H,51,62)(H,52,60)(H,53,63)(H,54,59)(H,55,61)(H4,45,46,49)(H4,47,48,50)/t26-,27-,28-,29-,30-,31-,32-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 940n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of PKB by radioactive kinase assay


Bioorg Med Chem 18: 2976-85 (2010)


Article DOI: 10.1016/j.bmc.2010.02.031
BindingDB Entry DOI: 10.7270/Q2KD1Z2W
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50316023
PNG
((S)-1-((S)-2-((S)-2-acetamido-5-guanidinopentanami...)
Show SMILES [#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C49H85N19O10/c1-5-10-32(40(72)66-36(25-29-16-18-30(70)19-17-29)43(75)67-37(26-50)44(76)62-31(39(51)71)20-15-27(2)3)63-42(74)34(12-7-22-59-48(54)55)64-45(77)38-14-9-24-68(38)46(78)35(13-8-23-60-49(56)57)65-41(73)33(61-28(4)69)11-6-21-58-47(52)53/h16-19,27,31-38,70H,5-15,20-26,50H2,1-4H3,(H2,51,71)(H,61,69)(H,62,76)(H,63,74)(H,64,77)(H,65,73)(H,66,72)(H,67,75)(H4,52,53,58)(H4,54,55,59)(H4,56,57,60)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.17E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of PKB by radioactive kinase assay


Bioorg Med Chem 18: 2976-85 (2010)


Article DOI: 10.1016/j.bmc.2010.02.031
BindingDB Entry DOI: 10.7270/Q2KD1Z2W
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50316024
PNG
((2S)-2-[(2S)-3-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2...)
Show SMILES [#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7](-[#6])-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C40H71N15O8/c1-6-9-28(52-35(60)29(11-8-19-49-40(46)47)51-33(58)23(4)55(5)38(63)26(42)10-7-18-48-39(44)45)34(59)53-30(20-24-13-15-25(56)16-14-24)36(61)54-31(21-41)37(62)50-27(32(43)57)17-12-22(2)3/h13-16,22-23,26-31,56H,6-12,17-21,41-42H2,1-5H3,(H2,43,57)(H,50,62)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H4,44,45,48)(H4,46,47,49)/t23-,26-,27-,28-,29-,30-,31-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.03E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of PKB by radioactive kinase assay


Bioorg Med Chem 18: 2976-85 (2010)


Article DOI: 10.1016/j.bmc.2010.02.031
BindingDB Entry DOI: 10.7270/Q2KD1Z2W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%