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PubMed code 28221775

Compile data set for download or QSAR
Found 5 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
cAMP-dependent protein kinase type I-alpha regulatory subunit [K244A]


(Homo sapiens (Human))
BDBM218808
PNG
(8-[Fluo]-cAMP)
Show SMILES Nc1ncnc2n(C3OC4COP([O-])(=O)OC4C3O)c(SCCNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)nc12 |(-9.02,-3.05,;-9.02,-4.59,;-10.36,-5.36,;-10.36,-6.9,;-9.02,-7.67,;-7.69,-6.9,;-6.23,-7.38,;-6.23,-8.92,;-7.56,-8.15,;-8.89,-8.92,;-10.38,-8.52,;-11.47,-9.61,;-12.96,-10.01,;-13.73,-8.67,;-13.73,-11.34,;-11.47,-10.41,;-10.38,-9.32,;-7.32,-10.01,;-7.32,-11.55,;-5.32,-6.13,;-3.78,-6.13,;-3.01,-4.8,;-2.24,-6.13,;-.91,-5.36,;.43,-4.59,;.43,-3.05,;1.76,-5.36,;3.3,-5.36,;4.07,-4.03,;5.61,-4.03,;6.38,-5.36,;5.61,-6.7,;4.07,-6.7,;6.01,-8.18,;4.92,-9.27,;7.5,-8.58,;7.92,-5.36,;8.69,-6.7,;7.92,-8.03,;8.69,-9.36,;10.23,-9.36,;11,-10.7,;11,-8.03,;10.23,-6.7,;11,-5.36,;10.23,-4.03,;11,-2.7,;10.23,-1.36,;11,-.03,;8.69,-1.36,;7.92,-2.69,;8.69,-4.03,;-6.23,-4.89,;-7.69,-5.36,)|
Show InChI InChI=1S/C33H28N7O11PS2/c34-28-25-29(37-13-36-28)40(30-26(43)27-23(50-30)12-48-52(46,47)51-27)33(39-25)54-8-7-35-32(53)38-14-1-4-17(20(9-14)31(44)45)24-18-5-2-15(41)10-21(18)49-22-11-16(42)3-6-19(22)24/h1-6,9-11,13,23,26-27,30,41,43H,7-8,12H2,(H,44,45)(H,46,47)(H2,34,36,37)(H2,35,38,53)/p-1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.71n/an/an/an/an/a



University of California, San Diego



Assay Description
The ability of the R subunit basic patch mutants to bind cAMP in the absence of the C subunit was tested using the fluorescent cAMP analogue, 8-[fluo...


Biochemistry 56: 1536-1545 (2017)


Article DOI: 10.1021/acs.biochem.6b01152
BindingDB Entry DOI: 10.7270/Q2DJ5DHF
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase type I-alpha regulatory subunit


(Homo sapiens (Human))
BDBM218808
PNG
(8-[Fluo]-cAMP)
Show SMILES Nc1ncnc2n(C3OC4COP([O-])(=O)OC4C3O)c(SCCNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)nc12 |(-9.02,-3.05,;-9.02,-4.59,;-10.36,-5.36,;-10.36,-6.9,;-9.02,-7.67,;-7.69,-6.9,;-6.23,-7.38,;-6.23,-8.92,;-7.56,-8.15,;-8.89,-8.92,;-10.38,-8.52,;-11.47,-9.61,;-12.96,-10.01,;-13.73,-8.67,;-13.73,-11.34,;-11.47,-10.41,;-10.38,-9.32,;-7.32,-10.01,;-7.32,-11.55,;-5.32,-6.13,;-3.78,-6.13,;-3.01,-4.8,;-2.24,-6.13,;-.91,-5.36,;.43,-4.59,;.43,-3.05,;1.76,-5.36,;3.3,-5.36,;4.07,-4.03,;5.61,-4.03,;6.38,-5.36,;5.61,-6.7,;4.07,-6.7,;6.01,-8.18,;4.92,-9.27,;7.5,-8.58,;7.92,-5.36,;8.69,-6.7,;7.92,-8.03,;8.69,-9.36,;10.23,-9.36,;11,-10.7,;11,-8.03,;10.23,-6.7,;11,-5.36,;10.23,-4.03,;11,-2.7,;10.23,-1.36,;11,-.03,;8.69,-1.36,;7.92,-2.69,;8.69,-4.03,;-6.23,-4.89,;-7.69,-5.36,)|
Show InChI InChI=1S/C33H28N7O11PS2/c34-28-25-29(37-13-36-28)40(30-26(43)27-23(50-30)12-48-52(46,47)51-27)33(39-25)54-8-7-35-32(53)38-14-1-4-17(20(9-14)31(44)45)24-18-5-2-15(41)10-21(18)49-22-11-16(42)3-6-19(22)24/h1-6,9-11,13,23,26-27,30,41,43H,7-8,12H2,(H,44,45)(H,46,47)(H2,34,36,37)(H2,35,38,53)/p-1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.30n/an/an/an/an/a



University of California, San Diego



Assay Description
The ability of the R subunit basic patch mutants to bind cAMP in the absence of the C subunit was tested using the fluorescent cAMP analogue, 8-[fluo...


Biochemistry 56: 1536-1545 (2017)


Article DOI: 10.1021/acs.biochem.6b01152
BindingDB Entry DOI: 10.7270/Q2DJ5DHF
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase type I-alpha regulatory subunit [R243A]


(Homo sapiens (Human))
BDBM218808
PNG
(8-[Fluo]-cAMP)
Show SMILES Nc1ncnc2n(C3OC4COP([O-])(=O)OC4C3O)c(SCCNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)nc12 |(-9.02,-3.05,;-9.02,-4.59,;-10.36,-5.36,;-10.36,-6.9,;-9.02,-7.67,;-7.69,-6.9,;-6.23,-7.38,;-6.23,-8.92,;-7.56,-8.15,;-8.89,-8.92,;-10.38,-8.52,;-11.47,-9.61,;-12.96,-10.01,;-13.73,-8.67,;-13.73,-11.34,;-11.47,-10.41,;-10.38,-9.32,;-7.32,-10.01,;-7.32,-11.55,;-5.32,-6.13,;-3.78,-6.13,;-3.01,-4.8,;-2.24,-6.13,;-.91,-5.36,;.43,-4.59,;.43,-3.05,;1.76,-5.36,;3.3,-5.36,;4.07,-4.03,;5.61,-4.03,;6.38,-5.36,;5.61,-6.7,;4.07,-6.7,;6.01,-8.18,;4.92,-9.27,;7.5,-8.58,;7.92,-5.36,;8.69,-6.7,;7.92,-8.03,;8.69,-9.36,;10.23,-9.36,;11,-10.7,;11,-8.03,;10.23,-6.7,;11,-5.36,;10.23,-4.03,;11,-2.7,;10.23,-1.36,;11,-.03,;8.69,-1.36,;7.92,-2.69,;8.69,-4.03,;-6.23,-4.89,;-7.69,-5.36,)|
Show InChI InChI=1S/C33H28N7O11PS2/c34-28-25-29(37-13-36-28)40(30-26(43)27-23(50-30)12-48-52(46,47)51-27)33(39-25)54-8-7-35-32(53)38-14-1-4-17(20(9-14)31(44)45)24-18-5-2-15(41)10-21(18)49-22-11-16(42)3-6-19(22)24/h1-6,9-11,13,23,26-27,30,41,43H,7-8,12H2,(H,44,45)(H,46,47)(H2,34,36,37)(H2,35,38,53)/p-1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.29n/an/an/an/an/a



University of California, San Diego



Assay Description
The ability of the R subunit basic patch mutants to bind cAMP in the absence of the C subunit was tested using the fluorescent cAMP analogue, 8-[fluo...


Biochemistry 56: 1536-1545 (2017)


Article DOI: 10.1021/acs.biochem.6b01152
BindingDB Entry DOI: 10.7270/Q2DJ5DHF
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase type I-alpha regulatory subunit [K242A]


(Homo sapiens (Human))
BDBM218808
PNG
(8-[Fluo]-cAMP)
Show SMILES Nc1ncnc2n(C3OC4COP([O-])(=O)OC4C3O)c(SCCNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)nc12 |(-9.02,-3.05,;-9.02,-4.59,;-10.36,-5.36,;-10.36,-6.9,;-9.02,-7.67,;-7.69,-6.9,;-6.23,-7.38,;-6.23,-8.92,;-7.56,-8.15,;-8.89,-8.92,;-10.38,-8.52,;-11.47,-9.61,;-12.96,-10.01,;-13.73,-8.67,;-13.73,-11.34,;-11.47,-10.41,;-10.38,-9.32,;-7.32,-10.01,;-7.32,-11.55,;-5.32,-6.13,;-3.78,-6.13,;-3.01,-4.8,;-2.24,-6.13,;-.91,-5.36,;.43,-4.59,;.43,-3.05,;1.76,-5.36,;3.3,-5.36,;4.07,-4.03,;5.61,-4.03,;6.38,-5.36,;5.61,-6.7,;4.07,-6.7,;6.01,-8.18,;4.92,-9.27,;7.5,-8.58,;7.92,-5.36,;8.69,-6.7,;7.92,-8.03,;8.69,-9.36,;10.23,-9.36,;11,-10.7,;11,-8.03,;10.23,-6.7,;11,-5.36,;10.23,-4.03,;11,-2.7,;10.23,-1.36,;11,-.03,;8.69,-1.36,;7.92,-2.69,;8.69,-4.03,;-6.23,-4.89,;-7.69,-5.36,)|
Show InChI InChI=1S/C33H28N7O11PS2/c34-28-25-29(37-13-36-28)40(30-26(43)27-23(50-30)12-48-52(46,47)51-27)33(39-25)54-8-7-35-32(53)38-14-1-4-17(20(9-14)31(44)45)24-18-5-2-15(41)10-21(18)49-22-11-16(42)3-6-19(22)24/h1-6,9-11,13,23,26-27,30,41,43H,7-8,12H2,(H,44,45)(H,46,47)(H2,34,36,37)(H2,35,38,53)/p-1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.32n/an/an/an/an/a



University of California, San Diego



Assay Description
The ability of the R subunit basic patch mutants to bind cAMP in the absence of the C subunit was tested using the fluorescent cAMP analogue, 8-[fluo...


Biochemistry 56: 1536-1545 (2017)


Article DOI: 10.1021/acs.biochem.6b01152
BindingDB Entry DOI: 10.7270/Q2DJ5DHF
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase type I-alpha regulatory subunit [R241A]


(Homo sapiens (Human))
BDBM218808
PNG
(8-[Fluo]-cAMP)
Show SMILES Nc1ncnc2n(C3OC4COP([O-])(=O)OC4C3O)c(SCCNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)nc12 |(-9.02,-3.05,;-9.02,-4.59,;-10.36,-5.36,;-10.36,-6.9,;-9.02,-7.67,;-7.69,-6.9,;-6.23,-7.38,;-6.23,-8.92,;-7.56,-8.15,;-8.89,-8.92,;-10.38,-8.52,;-11.47,-9.61,;-12.96,-10.01,;-13.73,-8.67,;-13.73,-11.34,;-11.47,-10.41,;-10.38,-9.32,;-7.32,-10.01,;-7.32,-11.55,;-5.32,-6.13,;-3.78,-6.13,;-3.01,-4.8,;-2.24,-6.13,;-.91,-5.36,;.43,-4.59,;.43,-3.05,;1.76,-5.36,;3.3,-5.36,;4.07,-4.03,;5.61,-4.03,;6.38,-5.36,;5.61,-6.7,;4.07,-6.7,;6.01,-8.18,;4.92,-9.27,;7.5,-8.58,;7.92,-5.36,;8.69,-6.7,;7.92,-8.03,;8.69,-9.36,;10.23,-9.36,;11,-10.7,;11,-8.03,;10.23,-6.7,;11,-5.36,;10.23,-4.03,;11,-2.7,;10.23,-1.36,;11,-.03,;8.69,-1.36,;7.92,-2.69,;8.69,-4.03,;-6.23,-4.89,;-7.69,-5.36,)|
Show InChI InChI=1S/C33H28N7O11PS2/c34-28-25-29(37-13-36-28)40(30-26(43)27-23(50-30)12-48-52(46,47)51-27)33(39-25)54-8-7-35-32(53)38-14-1-4-17(20(9-14)31(44)45)24-18-5-2-15(41)10-21(18)49-22-11-16(42)3-6-19(22)24/h1-6,9-11,13,23,26-27,30,41,43H,7-8,12H2,(H,44,45)(H,46,47)(H2,34,36,37)(H2,35,38,53)/p-1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.72n/an/an/an/an/a



University of California, San Diego



Assay Description
The ability of the R subunit basic patch mutants to bind cAMP in the absence of the C subunit was tested using the fluorescent cAMP analogue, 8-[fluo...


Biochemistry 56: 1536-1545 (2017)


Article DOI: 10.1021/acs.biochem.6b01152
BindingDB Entry DOI: 10.7270/Q2DJ5DHF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%