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Compile Data Set for Download or QSAR

Found 213 hits of ic50 data for polymerid = 1592   
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
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM258601
PNG
(US9493490, 6-(4-(aminomethyl)-2-chlorophenoxy)-7-i...)
Show SMILES CC(C)c1c2B(O)OCc2ccc1Oc1ccc(CN)cc1Cl
Show InChI InChI=1S/C17H19BClNO3/c1-10(2)16-15(6-4-12-9-22-18(21)17(12)16)23-14-5-3-11(8-20)7-13(14)19/h3-7,10,21H,8-9,20H2,1-2H3
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US Patent
n/an/a 0.0550n/an/an/an/an/a25



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PKAalpha


J Med Chem 53: 7296-315 (2010)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM258598
PNG
(US9493490, Example 10 | US9493490, G)
Show SMILES C[C@@H](N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1
Show InChI InChI=1/C16H17BFNO3/c1-9-14(5-4-12-8-21-17(20)16(9)12)22-15-6-3-11(10(2)19)7-13(15)18/h3-7,10,20H,8,19H2,1-2H3/t10-/s2
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n/an/a 1.79n/an/an/an/an/a25



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PKACalpha (unknown origin) incubated for 1 hr by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM258600
PNG
(US9493490, 6-(3-(aminomethyl)-2-fluorophenoxy)-7-m...)
Show SMILES Cc1c2B(O)OCc2ccc1Oc1cccc(CN)c1F
Show InChI InChI=1S/C15H15BFNO3/c1-9-12(6-5-11-8-20-16(19)14(9)11)21-13-4-2-3-10(7-18)15(13)17/h2-6,19H,7-8,18H2,1H3
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n/an/a 3.38n/an/an/an/an/a25



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM258595
PNG
(US9493490, 6-(4-(aminomethyl)-2-fluorophenoxy)-7-m...)
Show SMILES Cc1c2B(O)OCc2ccc1Oc1ccc(CN)cc1F
Show InChI InChI=1S/C15H15BFNO3/c1-9-13(5-3-11-8-20-16(19)15(9)11)21-14-4-2-10(7-18)6-12(14)17/h2-6,19H,7-8,18H2,1H3
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n/an/a 4.06n/an/an/an/an/a25



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50311410
PNG
(CHEMBL1077376 | N-((5S,8R,11R,14R,17R,20R,23R,33R)...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@@H](CCCCN)NC(=O)CCCCCNC(=O)c1ccc(s1)-c1ccnc(N)n1)C(N)=O
Show InChI InChI=1S/C69H126N34O11S/c70-30-7-5-17-42(54(72)106)97-57(109)45(20-12-35-89-64(75)76)99-59(111)47(22-14-37-91-66(79)80)101-61(113)49(24-16-39-93-68(83)84)102-60(112)48(23-15-38-92-67(81)82)100-58(110)46(21-13-36-90-65(77)78)98-56(108)44(19-11-34-88-63(73)74)96-53(105)26-3-1-9-32-86-55(107)43(18-6-8-31-71)95-52(104)25-4-2-10-33-87-62(114)51-28-27-50(115-51)41-29-40-94-69(85)103-41/h27-29,40,42-49H,1-26,30-39,70-71H2,(H2,72,106)(H,86,107)(H,87,114)(H,95,104)(H,96,105)(H,97,109)(H,98,108)(H,99,111)(H,100,110)(H,101,113)(H,102,112)(H4,73,74,88)(H4,75,76,89)(H4,77,78,90)(H4,79,80,91)(H4,81,82,92)(H4,83,84,93)(H2,85,94,103)/t42-,43+,44+,45+,46+,47+,48+,49+/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of PKACalpha in presence of 1000 uM ATP


Bioorg Med Chem Lett 19: 6098-101 (2009)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50199310
PNG
(2S,3S,4R,5R)-5-6-amino-9H-purin-9-yl)-N-12R,15R,18...)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(=O)CCCCCNCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C69H116N34O14S/c70-54-50-55(93-37-92-54)103(38-94-50)63-52(107)51(106)53(117-63)62(114)85-26-6-2-4-22-48(104)96-41(15-8-27-86-64(71)72)56(108)97-42(16-9-28-87-65(73)74)57(109)98-43(17-10-29-88-66(75)76)58(110)99-44(18-11-30-89-67(77)78)59(111)100-45(19-12-31-90-68(79)80)60(112)101-46(20-13-32-91-69(81)82)61(113)102-49(105)23-3-1-5-25-83-34-35-95-118(115,116)47-21-7-14-39-36-84-33-24-40(39)47/h7,14,21,24,33,36-38,41-46,51-53,63,83,95,106-107H,1-6,8-13,15-20,22-23,25-32,34-35H2,(H,85,114)(H,96,104)(H,97,108)(H,98,109)(H,99,110)(H,100,111)(H,101,112)(H2,70,92,93)(H4,71,72,86)(H4,73,74,87)(H4,75,76,88)(H4,77,78,89)(H4,79,80,90)(H4,81,82,91)(H,102,105,113)/t41-,42-,43-,44-,45-,46-,51+,52-,53+,63-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Institute of Organic and Bioorganic Chemistry

Curated by ChEMBL


Assay Description
Inhibitory potency towards human cAPK C alpha in the presence of 100uM ATP and 30uM TAMRA-kemptide


J Med Chem 49: 7150-9 (2006)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50199310
PNG
(2S,3S,4R,5R)-5-6-amino-9H-purin-9-yl)-N-12R,15R,18...)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(=O)CCCCCNCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C69H116N34O14S/c70-54-50-55(93-37-92-54)103(38-94-50)63-52(107)51(106)53(117-63)62(114)85-26-6-2-4-22-48(104)96-41(15-8-27-86-64(71)72)56(108)97-42(16-9-28-87-65(73)74)57(109)98-43(17-10-29-88-66(75)76)58(110)99-44(18-11-30-89-67(77)78)59(111)100-45(19-12-31-90-68(79)80)60(112)101-46(20-13-32-91-69(81)82)61(113)102-49(105)23-3-1-5-25-83-34-35-95-118(115,116)47-21-7-14-39-36-84-33-24-40(39)47/h7,14,21,24,33,36-38,41-46,51-53,63,83,95,106-107H,1-6,8-13,15-20,22-23,25-32,34-35H2,(H,85,114)(H,96,104)(H,97,108)(H,98,109)(H,99,110)(H,100,111)(H,101,112)(H2,70,92,93)(H4,71,72,86)(H4,73,74,87)(H4,75,76,88)(H4,77,78,89)(H4,79,80,90)(H4,81,82,91)(H,102,105,113)/t41-,42-,43-,44-,45-,46-,51+,52-,53+,63-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Institute of Organic and Bioorganic Chemistry

Curated by ChEMBL


Assay Description
Inhibitory potency towards human cAPK C alpha in the presence of 100uM ATP and 30uM TAMRA-kemptide


J Med Chem 49: 7150-9 (2006)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50311409
PNG
(CHEMBL1077375 | N-((6R,9R,12R,15R,18R,21R,31R)-1-a...)
Show SMILES NCCCC[C@@H](NC(=O)CCCCCNC(=O)c1ccc(s1)-c1ccnc(N)n1)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C63H114N32O10S/c64-27-6-5-15-39(88-47(96)22-4-2-8-29-80-56(105)46-25-24-45(106-46)37-26-36-87-63(78)95-37)50(99)79-28-7-1-3-23-48(97)89-40(17-10-31-82-58(68)69)51(100)91-42(19-12-33-84-60(72)73)53(102)93-44(21-14-35-86-62(76)77)55(104)94-43(20-13-34-85-61(74)75)54(103)92-41(18-11-32-83-59(70)71)52(101)90-38(49(65)98)16-9-30-81-57(66)67/h24-26,36,38-44H,1-23,27-35,64H2,(H2,65,98)(H,79,99)(H,80,105)(H,88,96)(H,89,97)(H,90,101)(H,91,100)(H,92,103)(H,93,102)(H,94,104)(H4,66,67,81)(H4,68,69,82)(H4,70,71,83)(H4,72,73,84)(H4,74,75,85)(H4,76,77,86)(H2,78,87,95)/t38-,39-,40-,41-,42-,43-,44-/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of PKACalpha in presence of 1000 uM ATP


Bioorg Med Chem Lett 19: 6098-101 (2009)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM258596
PNG
(US9493490, 6-(4-(1-aminoethyl)-2-fluorophenoxy)-7-...)
Show SMILES CC(N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1
Show InChI InChI=1/C16H17BFNO3/c1-9-14(5-4-12-8-21-17(20)16(9)12)22-15-6-3-11(10(2)19)7-13(15)18/h3-7,10,20H,8,19H2,1-2H3
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n/an/a 6.09n/an/an/an/an/a25



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM258599
PNG
(US9493490, Example 11 | US9493490, L | US9493490, ...)
Show SMILES Cc1c2B(O)OCc2ccc1Oc1cccc(CNC(=O)OC(C)(C)C)c1F
Show InChI InChI=1S/C20H23BFNO5/c1-12-15(9-8-14-11-26-21(25)17(12)14)27-16-7-5-6-13(18(16)22)10-23-19(24)28-20(2,3)4/h5-9,25H,10-11H2,1-4H3,(H,23,24)
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n/an/a 7.88n/an/an/an/an/a25



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM258597
PNG
(US9493490, Example 9 | US9493490, F)
Show SMILES C[C@H](N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1
Show InChI InChI=1/C16H17BFNO3/c1-9-14(5-4-12-8-21-17(20)16(9)12)22-15-6-3-11(10(2)19)7-13(15)18/h3-7,10,20H,8,19H2,1-2H3/t10-/s2
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n/an/a 11.0n/an/an/an/an/a25



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50219803
PNG
(6-{[(1S,3R,4R)-3-(6-amino-9H-purin-9-yl)-4-hydroxy...)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@@H]1C[C@@H](O)[C@@H](C1)n1cnc2c(N)ncnc12)C(N)=O
Show InChI InChI=1S/C53H97N31O9/c54-39-38-41(76-26-75-39)84(27-77-38)35-24-28(25-36(35)85)42(88)68-17-3-1-2-16-37(86)78-30(11-5-19-70-49(58)59)43(89)80-32(13-7-21-72-51(62)63)45(91)82-34(15-9-23-74-53(66)67)47(93)83-33(14-8-22-73-52(64)65)46(92)81-31(12-6-20-71-50(60)61)44(90)79-29(40(55)87)10-4-18-69-48(56)57/h26-36,85H,1-25H2,(H2,55,87)(H,68,88)(H,78,86)(H,79,90)(H,80,89)(H,81,92)(H,82,91)(H,83,93)(H2,54,75,76)(H4,56,57,69)(H4,58,59,70)(H4,60,61,71)(H4,62,63,72)(H4,64,65,73)(H4,66,67,74)/t28-,29-,30-,31-,32-,33-,34-,35+,36+/m0/s1
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n/an/a 12.9n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of cAPK Calpha in presence of 0.1 mM ATP


Bioorg Med Chem Lett 17: 5336-9 (2007)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50311405
PNG
(CHEMBL1077369 | N-((6R,9R,19R)-1-amino-19-(4-amino...)
Show SMILES NCCCC[C@@H](NC(=O)CCCCCNC(=O)c1ccc(s1)-c1ccnc(N)n1)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C39H66N16O6S/c40-19-6-5-11-27(52-31(56)14-4-2-8-21-48-36(61)30-17-16-29(62-30)25-18-24-51-39(46)55-25)34(59)47-20-7-1-3-15-32(57)53-28(13-10-23-50-38(44)45)35(60)54-26(33(41)58)12-9-22-49-37(42)43/h16-18,24,26-28H,1-15,19-23,40H2,(H2,41,58)(H,47,59)(H,48,61)(H,52,56)(H,53,57)(H,54,60)(H4,42,43,49)(H4,44,45,50)(H2,46,51,55)/t26-,27-,28-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of PKACalpha in presense of 100 uM ATP


Bioorg Med Chem Lett 19: 6098-101 (2009)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM3153
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)/t17-,21-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50055668
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES N[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C27H24N2O10/c28-14-10-17(29-25(35)12-4-6-15(30)7-5-12)21(11-14)39-27(38)13-8-19(32)23(20(33)9-13)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-9,14,17,21,30-33H,10-11,28H2,(H,29,35)(H,36,37)/t14-,17-,21-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM258594
PNG
(US9493490, 6-(4-(1-aminoethyl)-2-fluorophenoxy)ben...)
Show SMILES CC(N)c1ccc(Oc2ccc3COB(O)c3c2)c(F)c1
Show InChI InChI=1/C15H15BFNO3/c1-9(18)10-3-5-15(14(17)6-10)21-12-4-2-11-8-20-16(19)13(11)7-12/h2-7,9,19H,8,18H2,1H3
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US Patent
n/an/a>50n/an/an/an/an/a25



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM27225
PNG
((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...)
Show SMILES NCCCC[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C40H70N18O9/c41-16-6-5-11-24(55-26(59)14-4-2-8-18-49-37(66)31-29(61)30(62)38(67-31)58-22-54-28-32(42)52-21-53-34(28)58)35(64)48-17-7-1-3-15-27(60)56-25(13-10-20-51-40(46)47)36(65)57-23(33(43)63)12-9-19-50-39(44)45/h21-25,29-31,38,61-62H,1-20,41H2,(H2,43,63)(H,48,64)(H,49,66)(H,55,59)(H,56,60)(H,57,65)(H2,42,52,53)(H4,44,45,50)(H4,46,47,51)/t23-,24-,25-,29+,30-,31+,38-/m1/s1
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n/an/a 54n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of PKACalpha in presense of 100 uM ATP


Bioorg Med Chem Lett 19: 6098-101 (2009)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50311407
PNG
(CHEMBL1077371 | N-((6R,9R,19R)-1-amino-19-(4-amino...)
Show SMILES NCCCC[C@@H](NC(=O)CCCCCNC(=O)c1cccc(c1)-c1ccnc(N)n1)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C41H68N16O6/c42-20-6-5-14-31(54-33(58)17-3-1-7-21-49-36(61)28-13-9-12-27(26-28)29-19-25-53-41(48)57-29)37(62)50-22-8-2-4-18-34(59)55-32(16-11-24-52-40(46)47)38(63)56-30(35(43)60)15-10-23-51-39(44)45/h9,12-13,19,25-26,30-32H,1-8,10-11,14-18,20-24,42H2,(H2,43,60)(H,49,61)(H,50,62)(H,54,58)(H,55,59)(H,56,63)(H4,44,45,51)(H4,46,47,52)(H2,48,53,57)/t30-,31-,32-/m1/s1
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n/an/a 61n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of PKACalpha in presense of 100 uM ATP


Bioorg Med Chem Lett 19: 6098-101 (2009)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM3152
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-4-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C26H22N2O10/c29-14-6-4-12(5-7-14)24(34)28-16-10-27-11-20(16)38-26(37)13-8-18(31)22(19(32)9-13)23(33)21-15(25(35)36)2-1-3-17(21)30/h1-9,16,20,27,29-32H,10-11H2,(H,28,34)(H,35,36)/t16-,20-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50311405
PNG
(CHEMBL1077369 | N-((6R,9R,19R)-1-amino-19-(4-amino...)
Show SMILES NCCCC[C@@H](NC(=O)CCCCCNC(=O)c1ccc(s1)-c1ccnc(N)n1)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C39H66N16O6S/c40-19-6-5-11-27(52-31(56)14-4-2-8-21-48-36(61)30-17-16-29(62-30)25-18-24-51-39(46)55-25)34(59)47-20-7-1-3-15-32(57)53-28(13-10-23-50-38(44)45)35(60)54-26(33(41)58)12-9-22-49-37(42)43/h16-18,24,26-28H,1-15,19-23,40H2,(H2,41,58)(H,47,59)(H,48,61)(H,52,56)(H,53,57)(H,54,60)(H4,42,43,49)(H4,44,45,50)(H2,46,51,55)/t26-,27-,28-/m1/s1
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n/an/a 82n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of PKACalpha in presence of 1000 uM ATP


Bioorg Med Chem Lett 19: 6098-101 (2009)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50055685
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES NC[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C28H26N2O10/c29-12-13-8-18(30-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,31-34H,8-9,12,29H2,(H,30,36)(H,37,38)/t13-,18-,22-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50219805
PNG
(6-{[(1R,3S,4S)-3-(6-amino-9H-purin-9-yl)-4-hydroxy...)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H]1C[C@H](O)[C@H](C1)n1cnc2c(N)ncnc12)C(N)=O
Show InChI InChI=1S/C53H97N31O9/c54-39-38-41(76-26-75-39)84(27-77-38)35-24-28(25-36(35)85)42(88)68-17-3-1-2-16-37(86)78-30(11-5-19-70-49(58)59)43(89)80-32(13-7-21-72-51(62)63)45(91)82-34(15-9-23-74-53(66)67)47(93)83-33(14-8-22-73-52(64)65)46(92)81-31(12-6-20-71-50(60)61)44(90)79-29(40(55)87)10-4-18-69-48(56)57/h26-36,85H,1-25H2,(H2,55,87)(H,68,88)(H,78,86)(H,79,90)(H,80,89)(H,81,92)(H,82,91)(H,83,93)(H2,54,75,76)(H4,56,57,69)(H4,58,59,70)(H4,60,61,71)(H4,62,63,72)(H4,64,65,73)(H4,66,67,74)/t28-,29+,30+,31+,32+,33+,34+,35+,36+/m1/s1
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n/an/a 97.3n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of cAPK Calpha in presence of 0.1 mM ATP


Bioorg Med Chem Lett 17: 5336-9 (2007)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM27248
PNG
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O
Show InChI InChI=1S/C52H95N31O11/c53-37-33-39(75-24-74-37)83(25-76-33)46-35(86)34(85)36(94-46)45(93)67-17-3-1-2-16-32(84)77-27(11-5-19-69-48(57)58)40(88)79-29(13-7-21-71-50(61)62)42(90)81-31(15-9-23-73-52(65)66)44(92)82-30(14-8-22-72-51(63)64)43(91)80-28(12-6-20-70-49(59)60)41(89)78-26(38(54)87)10-4-18-68-47(55)56/h24-31,34-36,46,85-86H,1-23H2,(H2,54,87)(H,67,93)(H,77,84)(H,78,89)(H,79,88)(H,80,91)(H,81,90)(H,82,92)(H2,53,74,75)(H4,55,56,68)(H4,57,58,69)(H4,59,60,70)(H4,61,62,71)(H4,63,64,72)(H4,65,66,73)/t26-,27-,28-,29-,30-,31-,34+,35-,36+,46-/m1/s1
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n/an/a 109n/an/an/an/an/an/a



Institute of Organic and Bioorganic Chemistry

Curated by ChEMBL


Assay Description
Inhibitory potency towards human cAPK C alpha in the presence of 100uM ATP and 30uM TAMRA-kemptide


J Med Chem 49: 7150-9 (2006)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM27248
PNG
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O
Show InChI InChI=1S/C52H95N31O11/c53-37-33-39(75-24-74-37)83(25-76-33)46-35(86)34(85)36(94-46)45(93)67-17-3-1-2-16-32(84)77-27(11-5-19-69-48(57)58)40(88)79-29(13-7-21-71-50(61)62)42(90)81-31(15-9-23-73-52(65)66)44(92)82-30(14-8-22-72-51(63)64)43(91)80-28(12-6-20-70-49(59)60)41(89)78-26(38(54)87)10-4-18-68-47(55)56/h24-31,34-36,46,85-86H,1-23H2,(H2,54,87)(H,67,93)(H,77,84)(H,78,89)(H,79,88)(H,80,91)(H,81,90)(H,82,92)(H2,53,74,75)(H4,55,56,68)(H4,57,58,69)(H4,59,60,70)(H4,61,62,71)(H4,63,64,72)(H4,65,66,73)/t26-,27-,28-,29-,30-,31-,34+,35-,36+,46-/m1/s1
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n/an/a 109n/an/an/an/an/an/a



Institute of Organic and Bioorganic Chemistry

Curated by ChEMBL


Assay Description
Inhibitory potency towards human cAPK C alpha in the presence of 100uM ATP and 30uM TAMRA-kemptide


J Med Chem 49: 7150-9 (2006)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50055684
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C27H23NO11/c29-14-6-4-12(5-7-14)25(35)28-17-10-15(30)11-21(17)39-27(38)13-8-19(32)23(20(33)9-13)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-9,15,17,21,29-33H,10-11H2,(H,28,35)(H,36,37)/t15?,17-,21-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50055677
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES NC[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C28H26N2O10/c29-12-13-8-18(30-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,31-34H,8-9,12,29H2,(H,30,36)(H,37,38)/t13-,18+,22+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM25472
PNG
(CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...)
Show SMILES O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2O1
Show InChI InChI=1S/C18H15N3O3/c22-18(17-11-23-15-3-1-2-4-16(15)24-17)21-14-7-5-12(6-8-14)13-9-19-20-10-13/h1-10,17H,11H2,(H,19,20)(H,21,22)
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n/an/a 186n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
Reaction mixture of kemptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started...


J Med Chem 51: 6642-5 (2008)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM16591
PNG
((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)
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n/an/a 190n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...


Bioorg Med Chem 14: 1792-804 (2006)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50055681
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C28H25NO11/c30-12-13-8-18(29-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,30-34H,8-9,12H2,(H,29,36)(H,37,38)/t13-,18-,22-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50055672
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C28H25NO11/c30-12-13-8-18(29-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,30-34H,8-9,12H2,(H,29,36)(H,37,38)/t13-,18+,22+/m0/s1
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n/an/a 230n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50055676
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES O[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C27H23NO11/c29-14-6-4-12(5-7-14)25(35)28-17-10-15(30)11-21(17)39-27(38)13-8-19(32)23(20(33)9-13)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-9,15,17,21,29-33H,10-11H2,(H,28,35)(H,36,37)/t15-,17-,21-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50327912
PNG
(3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]...)
Show SMILES O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1
Show InChI InChI=1S/C29H32N6O3S/c36-28(21-8-10-22(11-9-21)35-14-16-38-17-15-35)31-27-26-23(32-33-27)18-25(39-26)29(37)30-24(19-34-12-4-5-13-34)20-6-2-1-3-7-20/h1-3,6-11,18,24H,4-5,12-17,19H2,(H,30,37)(H2,31,32,33,36)/t24-/m1/s1
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n/an/a 332n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of PKAalpha


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50311406
PNG
(CHEMBL1077370 | N-((6R,9R,19R)-1-amino-19-(4-amino...)
Show SMILES NCCCC[C@@H](NC(=O)CCCCCNC(=O)c1cccc(c1)-c1ccncc1)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C42H68N14O6/c43-21-6-5-14-33(54-35(57)17-3-1-7-22-50-38(60)31-13-9-12-30(28-31)29-19-26-49-27-20-29)39(61)51-23-8-2-4-18-36(58)55-34(16-11-25-53-42(47)48)40(62)56-32(37(44)59)15-10-24-52-41(45)46/h9,12-13,19-20,26-28,32-34H,1-8,10-11,14-18,21-25,43H2,(H2,44,59)(H,50,60)(H,51,61)(H,54,57)(H,55,58)(H,56,62)(H4,45,46,52)(H4,47,48,53)/t32-,33-,34-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of PKACalpha in presense of 100 uM ATP


Bioorg Med Chem Lett 19: 6098-101 (2009)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50055669
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCOC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H25NO11/c30-16-8-6-14(7-9-16)26(35)29-18-13-39-10-2-5-22(18)40-28(38)15-11-20(32)24(21(33)12-15)25(34)23-17(27(36)37)3-1-4-19(23)31/h1,3-4,6-9,11-12,18,22,30-33H,2,5,10,13H2,(H,29,35)(H,36,37)/t18-,22-/m1/s1
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n/an/a 450n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50298225
PNG
(CHEMBL2069955 | CHEMBL573578 | NM-PP1 | US9765037,...)
Show SMILES CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23)
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n/an/a 500n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of PKA in the presence of 20uM ATP


Biochem J 408: 297-315 (2007)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM25470
PNG
(N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]-2,3-dihydro-...)
Show SMILES O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1
Show InChI InChI=1S/C17H13N3O3S/c21-16(15-9-22-13-3-1-2-4-14(13)23-15)20-17-19-12(10-24-17)11-5-7-18-8-6-11/h1-8,10,15H,9H2,(H,19,20,21)
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n/an/a 637n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
Reaction mixture of kemptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started...


J Med Chem 51: 6642-5 (2008)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM25470
PNG
(N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]-2,3-dihydro-...)
Show SMILES O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1
Show InChI InChI=1S/C17H13N3O3S/c21-16(15-9-22-13-3-1-2-4-14(13)23-15)20-17-19-12(10-24-17)11-5-7-18-8-6-11/h1-8,10,15H,9H2,(H,19,20,21)
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n/an/a 682n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM25471
PNG
(N-[4-(pyridin-4-yl)phenyl]-2,3-dihydro-1,4-benzodi...)
Show SMILES O=C(Nc1ccc(cc1)-c1ccncc1)C1COc2ccccc2O1
Show InChI InChI=1S/C20H16N2O3/c23-20(19-13-24-17-3-1-2-4-18(17)25-19)22-16-7-5-14(6-8-16)15-9-11-21-12-10-15/h1-12,19H,13H2,(H,22,23)
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n/an/a 692n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
Reaction mixture of kemptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started...


J Med Chem 51: 6642-5 (2008)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50157880
PNG
(CHEMBL3787112)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1
Show InChI InChI=1/C20H23N5O/c21-19-18-17(14-3-1-4-16(26)9-14)11-25(20(18)23-12-22-19)15-7-13(8-15)10-24-5-2-6-24/h1,3-4,9,11-13,15,26H,2,5-8,10H2,(H2,21,22,23)/t13-,15+
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n/an/a 780n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PRKACA (unknown origin) in presence of [gamma33P]ATP


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 853n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM25473
PNG
(N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydr...)
Show SMILES COc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N3O4/c1-24-17-8-12(13-9-20-21-10-13)6-7-14(17)22-19(23)18-11-25-15-4-2-3-5-16(15)26-18/h2-10,18H,11H2,1H3,(H,20,21)(H,22,23)
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n/an/a 940n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
Reaction mixture of kemptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started...


J Med Chem 51: 6642-5 (2008)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM3150
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCCC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C29H27NO10/c31-17-11-9-15(10-12-17)27(36)30-19-6-2-1-3-8-23(19)40-29(39)16-13-21(33)25(22(34)14-16)26(35)24-18(28(37)38)5-4-7-20(24)32/h4-5,7,9-14,19,23,31-34H,1-3,6,8H2,(H,30,36)(H,37,38)/t19-,23-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50055670
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1C2CCN(CC2)C[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C30H28N2O10/c33-18-6-4-16(5-7-18)28(38)31-20-14-32-10-8-15(9-11-32)27(20)42-30(41)17-12-22(35)25(23(36)13-17)26(37)24-19(29(39)40)2-1-3-21(24)34/h1-7,12-13,15,20,27,33-36H,8-11,14H2,(H,31,38)(H,39,40)/t20-,27-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM37913
PNG
(MLS000065710 | N-(5-pyridin-4-yl-1,3,4-thiadiazol-...)
Show SMILES O=C(Cc1cccs1)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C13H10N4OS2/c18-11(8-10-2-1-7-19-10)15-13-17-16-12(20-13)9-3-5-14-6-4-9/h1-7H,8H2,(H,15,17,18)
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n/an/a 1.76E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50055666
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1C2CCC(C2)[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C29H25NO10/c31-17-8-6-13(7-9-17)27(36)30-24-14-4-5-15(10-14)26(24)40-29(39)16-11-20(33)23(21(34)12-16)25(35)22-18(28(37)38)2-1-3-19(22)32/h1-3,6-9,11-12,14-15,24,26,31-34H,4-5,10H2,(H,30,36)(H,37,38)/t14?,15?,24-,26-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50055679
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CC(C[C@H]1NC(=O)c1ccc(O)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H22F3NO11/c30-29(31,32)25(39)13-8-17(33-26(40)12-4-6-15(34)7-5-12)21(11-13)44-28(43)14-9-19(36)23(20(37)10-14)24(38)22-16(27(41)42)2-1-3-18(22)35/h1-7,9-10,13,17,21,34-37H,8,11H2,(H,33,40)(H,41,42)/t13?,17-,21-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
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