Found 249 hits of ic50 for UniProtKB: P17612 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM258601
(US9493490, 6-(4-(aminomethyl)-2-chlorophenoxy)-7-i...)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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.0550 | n/a | n/a | n/a | n/a | n/a | 25 |
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... |
US Patent US9493490 (2016)
BindingDB Entry DOI: 10.7270/Q2R2109J |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM2579
((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 |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.935 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of human PKA using LCGRTGRRNSI as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 161: 456-467 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.052 BindingDB Entry DOI: 10.7270/Q2W380MT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM2579
((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 |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.58 | n/a | n/a | n/a | n/a | n/a | n/a |
The Ohio State University
Curated by ChEMBL
| Assay Description Inhibition of human PKACA using LCGRTGRRNSI as substrate in presence of [gamma-32P]ATP |
Bioorg Med Chem 25: 2156-2166 (2017)
Article DOI: 10.1016/j.bmc.2017.02.030 BindingDB Entry DOI: 10.7270/Q2571FGM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM258598
(US9493490, Example 10 | US9493490, G)Show SMILES C[C@@H](N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1 |r| Show InChI InChI=1S/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-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.79 | n/a | n/a | n/a | n/a | n/a | 25 |
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... |
US Patent US9493490 (2016)
BindingDB Entry DOI: 10.7270/Q2R2109J |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM2579
((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 |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description Inhibition of PKACalpha (unknown origin) incubated for 1 hr by spectrophotometric analysis |
Bioorg Med Chem 24: 3483-93 (2016)
Article DOI: 10.1016/j.bmc.2016.05.057 BindingDB Entry DOI: 10.7270/Q29G5PQT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM258600
(US9493490, 6-(3-(aminomethyl)-2-fluorophenoxy)-7-m...)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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 3.38 | n/a | n/a | n/a | n/a | n/a | 25 |
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... |
US Patent US9493490 (2016)
BindingDB Entry DOI: 10.7270/Q2R2109J |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM258595
(US9493490, 6-(4-(aminomethyl)-2-fluorophenoxy)-7-m...)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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4.06 | n/a | n/a | n/a | n/a | n/a | 25 |
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... |
US Patent US9493490 (2016)
BindingDB Entry DOI: 10.7270/Q2R2109J |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50311410
(CHEMBL1077376 | N-((5S,8R,11R,14R,17R,20R,23R,33R)...)Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#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](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#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](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(s1)-c1ccnc(-[#7])n1)-[#6](-[#7])=O |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2009.09.026 BindingDB Entry DOI: 10.7270/Q2JM29R4 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50199310
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm0605942 BindingDB Entry DOI: 10.7270/Q2542N79 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50199310
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm0605942 BindingDB Entry DOI: 10.7270/Q2542N79 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50311409
(CHEMBL1077375 | N-((6R,9R,12R,15R,18R,21R,31R)-1-a...)Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(s1)-c1ccnc(-[#7])n1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2009.09.026 BindingDB Entry DOI: 10.7270/Q2JM29R4 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50599148
(CHEMBL5188777)Show SMILES CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c1ncnc2[nH]ccc12)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(N)=O)C(=O)NCC(C)=O |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00067 BindingDB Entry DOI: 10.7270/Q2NK3K3W |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM258596
(US9493490, 6-(4-(1-aminoethyl)-2-fluorophenoxy)-7-...)Show InChI InChI=1S/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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 6.09 | n/a | n/a | n/a | n/a | n/a | 25 |
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... |
US Patent US9493490 (2016)
BindingDB Entry DOI: 10.7270/Q2R2109J |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM258599
(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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 7.88 | n/a | n/a | n/a | n/a | n/a | 25 |
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... |
US Patent US9493490 (2016)
BindingDB Entry DOI: 10.7270/Q2R2109J |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM27248
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#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](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#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](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm0605942 BindingDB Entry DOI: 10.7270/Q2542N79 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM27248
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#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](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#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](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm0605942 BindingDB Entry DOI: 10.7270/Q2542N79 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50242733
(AT-13148)Show SMILES NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C17H16ClN3O/c18-16-7-5-15(6-8-16)17(22,11-19)14-3-1-12(2-4-14)13-9-20-21-10-13/h1-10,22H,11,19H2,(H,20,21)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His-tagged PKA catalytic domain (1 to 351 residues) expressed in Escherichia coli using Ser/Thr 7 as substrate after ... |
Bioorg Med Chem Lett 27: 2838-2848 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.090 BindingDB Entry DOI: 10.7270/Q2H70J7F |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM258597
(US9493490, Example 9 | US9493490, F)Show SMILES C[C@H](N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1 |r| Show InChI InChI=1S/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-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 11.0 | n/a | n/a | n/a | n/a | n/a | 25 |
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... |
US Patent US9493490 (2016)
BindingDB Entry DOI: 10.7270/Q2R2109J |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50219803
(6-{[(1S,3R,4R)-3-(6-amino-9H-purin-9-yl)-4-hydroxy...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#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](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#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](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6@@H](-[#8])-[#6@@H](-[#6]-1)-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12.9 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2007.08.016 BindingDB Entry DOI: 10.7270/Q2FQ9WBJ |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50311405
(CHEMBL1077369 | N-((6R,9R,19R)-1-amino-19-(4-amino...)Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(s1)-c1ccnc(-[#7])n1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2009.09.026 BindingDB Entry DOI: 10.7270/Q2JM29R4 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50599147
(CHEMBL5201435)Show SMILES CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(N)=O)C(=O)NCC(C)=O |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00067 BindingDB Entry DOI: 10.7270/Q2NK3K3W |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50536679
(CHEMBL4568087)Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck and Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His-tagged PRKACA catalytic domain expressed in Escherichia coli by Z'-LYTE assay |
Bioorg Med Chem Lett 26: 4362-6 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.003 BindingDB Entry DOI: 10.7270/Q2NP27X5 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM511482
(US11059789, Example 83 | US11691950, Example 83)Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C[C@H](N)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2C82FD9 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM511482
(US11059789, Example 83 | US11691950, Example 83)Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C[C@H](N)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| US Patent
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VD72M2 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM3153
(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 |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm960497g BindingDB Entry DOI: 10.7270/Q2J965HR |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM3149
(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 |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm960497g BindingDB Entry DOI: 10.7270/Q2J965HR |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50055668
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm960497g BindingDB Entry DOI: 10.7270/Q2J965HR |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM258594
(US9493490, 6-(4-(1-aminoethyl)-2-fluorophenoxy)ben...)Show InChI InChI=1S/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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | >50 | n/a | n/a | n/a | n/a | n/a | 25 |
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... |
US Patent US9493490 (2016)
BindingDB Entry DOI: 10.7270/Q2R2109J |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM27225
((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...)Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid UniChem
Similars
| MMDB Article PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2009.09.026 BindingDB Entry DOI: 10.7270/Q2JM29R4 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50311407
(CHEMBL1077371 | N-((6R,9R,19R)-1-amino-19-(4-amino...)Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1cccc(c1)-c1ccnc(-[#7])n1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2009.09.026 BindingDB Entry DOI: 10.7270/Q2JM29R4 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM3152
(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 |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm960497g BindingDB Entry DOI: 10.7270/Q2J965HR |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM511480
(US11059789, Example 40 | US11691950, Example 40)Show SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:15,t:11| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VD72M2 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM511480
(US11059789, Example 40 | US11691950, Example 40)Show SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:15,t:11| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2C82FD9 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM511484
(US11059789, Example 33 | US11691950, Example 33)Show SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:14,t:10| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VD72M2 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM511484
(US11059789, Example 33 | US11691950, Example 33)Show SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:14,t:10| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2C82FD9 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50311405
(CHEMBL1077369 | N-((6R,9R,19R)-1-amino-19-(4-amino...)Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(s1)-c1ccnc(-[#7])n1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2009.09.026 BindingDB Entry DOI: 10.7270/Q2JM29R4 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50055685
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm960497g BindingDB Entry DOI: 10.7270/Q2J965HR |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50219805
(6-{[(1R,3S,4S)-3-(6-amino-9H-purin-9-yl)-4-hydroxy...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#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](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#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](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6@H](-[#8])-[#6@H](-[#6]-1)-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 97.3 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2007.08.016 BindingDB Entry DOI: 10.7270/Q2FQ9WBJ |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM511483
(US11059789, Example 66 | US11691950, Example 66)Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1ccc(cc1)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VD72M2 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM511483
(US11059789, Example 66 | US11691950, Example 66)Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1ccc(cc1)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2C82FD9 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50055684
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm960497g BindingDB Entry DOI: 10.7270/Q2J965HR |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM511481
(US11059789, Example 25 | US11691950, Example 25)Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2C82FD9 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM511481
(US11059789, Example 25 | US11691950, Example 25)Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VD72M2 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50055677
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm960497g BindingDB Entry DOI: 10.7270/Q2J965HR |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM25472
(CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 186 | n/a | n/a | n/a | n/a | 7.3 | 22 |
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)
Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM16591
((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 |w:7.18,t:1| 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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | 7.5 | 30 |
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)
Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50055681
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm960497g BindingDB Entry DOI: 10.7270/Q2J965HR |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50055672
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm960497g BindingDB Entry DOI: 10.7270/Q2J965HR |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50055676
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm960497g BindingDB Entry DOI: 10.7270/Q2J965HR |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human)) | BDBM511485
(US11059789, Example 27 | US11691950, Example 27)Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C1CC1C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 317 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VD72M2 |
More data for this Ligand-Target Pair | |