BindingDB logo
myBDB logout

PubMed code 22342124

Compile data set for download or QSAR
Found 9 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
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))		BDBM50379532
PNG
(CHEMBL2012703)
Show SMILES CN(C)CCNc1cc(Cl)cc(N2CCN(CC2)c2ncnc3n[nH]c(c23)C(F)(F)F)c1C
Show InChI InChI=1S/C21H26ClF3N8/c1-13-15(26-4-5-31(2)3)10-14(22)11-16(13)32-6-8-33(9-7-32)20-17-18(21(23,24)25)29-30-19(17)27-12-28-20/h10-12,26H,4-9H2,1-3H3,(H,27,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of Rsk2

Bioorg Med Chem Lett 22: 2283-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.105
BindingDB Entry DOI: 10.7270/Q2R49RSN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50379531
PNG
(CHEMBL2012702)
Show SMILES CN(C)CCNc1cc(Cl)cc(N2CCN(CC2)c2ncnc3n[nH]c(Br)c23)c1C
Show InChI InChI=1S/C20H26BrClN8/c1-13-15(23-4-5-28(2)3)10-14(22)11-16(13)29-6-8-30(9-7-29)20-17-18(21)26-27-19(17)24-12-25-20/h10-12,23H,4-9H2,1-3H3,(H,24,25,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of Akt1

Bioorg Med Chem Lett 22: 2283-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.105
BindingDB Entry DOI: 10.7270/Q2R49RSN
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))		BDBM50379530
PNG
(CHEMBL2012701)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN(C)C)c3C)c12
Show InChI InChI=1S/C22H31ClN8/c1-5-17-20-21(28-27-17)25-14-26-22(20)31-10-8-30(9-11-31)19-13-16(23)12-18(15(19)2)24-6-7-29(3)4/h12-14,24H,5-11H2,1-4H3,(H,25,26,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of Rsk2

Bioorg Med Chem Lett 22: 2283-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.105
BindingDB Entry DOI: 10.7270/Q2R49RSN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50379532
PNG
(CHEMBL2012703)
Show SMILES CN(C)CCNc1cc(Cl)cc(N2CCN(CC2)c2ncnc3n[nH]c(c23)C(F)(F)F)c1C
Show InChI InChI=1S/C21H26ClF3N8/c1-13-15(26-4-5-31(2)3)10-14(22)11-16(13)32-6-8-33(9-7-32)20-17-18(21(23,24)25)29-30-19(17)27-12-28-20/h10-12,26H,4-9H2,1-3H3,(H,27,28,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of Akt1

Bioorg Med Chem Lett 22: 2283-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.105
BindingDB Entry DOI: 10.7270/Q2R49RSN
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))		BDBM50379531
PNG
(CHEMBL2012702)
Show SMILES CN(C)CCNc1cc(Cl)cc(N2CCN(CC2)c2ncnc3n[nH]c(Br)c23)c1C
Show InChI InChI=1S/C20H26BrClN8/c1-13-15(23-4-5-28(2)3)10-14(22)11-16(13)29-6-8-30(9-7-29)20-17-18(21)26-27-19(17)24-12-25-20/h10-12,23H,4-9H2,1-3H3,(H,24,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 248n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of Rsk2

Bioorg Med Chem Lett 22: 2283-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.105
BindingDB Entry DOI: 10.7270/Q2R49RSN
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50379531
PNG
(CHEMBL2012702)
Show SMILES CN(C)CCNc1cc(Cl)cc(N2CCN(CC2)c2ncnc3n[nH]c(Br)c23)c1C
Show InChI InChI=1S/C20H26BrClN8/c1-13-15(23-4-5-28(2)3)10-14(22)11-16(13)29-6-8-30(9-7-29)20-17-18(21)26-27-19(17)24-12-25-20/h10-12,23H,4-9H2,1-3H3,(H,24,25,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 311n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of Akt2

Bioorg Med Chem Lett 22: 2283-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.105
BindingDB Entry DOI: 10.7270/Q2R49RSN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50379530
PNG
(CHEMBL2012701)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN(C)C)c3C)c12
Show InChI InChI=1S/C22H31ClN8/c1-5-17-20-21(28-27-17)25-14-26-22(20)31-10-8-30(9-11-31)19-13-16(23)12-18(15(19)2)24-6-7-29(3)4/h12-14,24H,5-11H2,1-4H3,(H,25,26,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 371n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of Akt1

Bioorg Med Chem Lett 22: 2283-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.105
BindingDB Entry DOI: 10.7270/Q2R49RSN
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50379532
PNG
(CHEMBL2012703)
Show SMILES CN(C)CCNc1cc(Cl)cc(N2CCN(CC2)c2ncnc3n[nH]c(c23)C(F)(F)F)c1C
Show InChI InChI=1S/C21H26ClF3N8/c1-13-15(26-4-5-31(2)3)10-14(22)11-16(13)32-6-8-33(9-7-32)20-17-18(21(23,24)25)29-30-19(17)27-12-28-20/h10-12,26H,4-9H2,1-3H3,(H,27,28,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 477n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of Akt2

Bioorg Med Chem Lett 22: 2283-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.105
BindingDB Entry DOI: 10.7270/Q2R49RSN
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50379530
PNG
(CHEMBL2012701)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN(C)C)c3C)c12
Show InChI InChI=1S/C22H31ClN8/c1-5-17-20-21(28-27-17)25-14-26-22(20)31-10-8-30(9-11-31)19-13-16(23)12-18(15(19)2)24-6-7-29(3)4/h12-14,24H,5-11H2,1-4H3,(H,25,26,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.02E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of Akt2

Bioorg Med Chem Lett 22: 2283-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.105
BindingDB Entry DOI: 10.7270/Q2R49RSN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%