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BDBM218808 8-[Fluo]-cAMP

SMILES: Nc1ncnc2n(C3OC4COP([O-])(=O)OC4C3O)c(SCCNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)nc12

InChI Key: InChIKey=CQCCASCBDPGSNI-UHFFFAOYNA-M

Data: 5 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 218808   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase A Iα regulatory subunit (RIα)


(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
Show InChI InChI=1/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
UniProtKB/TrEMBL

GoogleScholar
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
Protein kinase A Iα regulatory subunit (RIα R239A)


(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
Show InChI InChI=1/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

GoogleScholar
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
Protein kinase A Iα regulatory subunit (RIα 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
Show InChI InChI=1/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

GoogleScholar
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
Protein kinase A Iα regulatory subunit (RIα 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
Show InChI InChI=1/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

GoogleScholar
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
Protein kinase A Iα regulatory subunit (RIα K240A)


(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
Show InChI InChI=1/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

GoogleScholar
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