Found 143 hits Enz. Inhib. hit(s) with Target = 'cAMP-dependent protein kinase catalytic subunit beta' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
cAMP-dependent protein kinase catalytic subunit beta
(RAT) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 316: 869-74 (2006)
Article DOI: 10.1124/jpet.105.097303 BindingDB Entry DOI: 10.7270/Q2PN9464 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-dependent protein kinase catalytic subunit beta
(RAT) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)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 | PDB MMDB
Reactome pathway KEGG
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| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 316: 869-74 (2006)
Article DOI: 10.1124/jpet.105.097303 BindingDB Entry DOI: 10.7270/Q2PN9464 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-dependent protein kinase catalytic subunit beta
(RAT) | BDBM86727
(1-(5-isoquinolinesulfonyl)-2-methylpiperazine.2HCl...)Show InChI InChI=1S/C14H17N3O2S/c1-11-10-17(8-7-16-11)20(18,19)14-4-2-3-12-9-15-6-5-13(12)14/h2-6,9,11,16H,7-8,10H2,1H3 | PDB MMDB
Reactome pathway KEGG
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| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 316: 869-74 (2006)
Article DOI: 10.1124/jpet.105.097303 BindingDB Entry DOI: 10.7270/Q2PN9464 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(RAT) | BDBM86729
((R)-(+)-trans-4-(1-aminoethyl)-N-(4-pyridyl)cycloh...)Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |r,wU:6.9,wD:3.2,1.1,(4.6,-3.38,;4.87,-1.86,;6.32,-1.34,;3.69,-.87,;2.92,.46,;1.38,.46,;.61,-.87,;1.38,-2.21,;2.92,-2.21,;-.93,-.87,;-1.7,.46,;-1.7,-2.21,;-3.24,-2.21,;-4.01,-3.54,;-5.55,-3.54,;-6.32,-2.21,;-5.55,-.87,;-4.01,-.87,)| Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1 | PDB MMDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 316: 869-74 (2006)
Article DOI: 10.1124/jpet.105.097303 BindingDB Entry DOI: 10.7270/Q2PN9464 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-dependent protein kinase catalytic subunit beta
(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
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| n/a | n/a | 0.603 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human PKAcb using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2018.02.022 BindingDB Entry DOI: 10.7270/Q2DJ5KB8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-dependent protein kinase catalytic subunit beta
(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
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of human PKAcb using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK 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 beta
(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
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter& Gamble Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of PKA activity using neurogranin as a substrate in presence of 50 uM ATP by mass spectrometry |
Bioorg Med Chem 19: 2742-50 (2011)
Article DOI: 10.1016/j.bmc.2011.02.036 BindingDB Entry DOI: 10.7270/Q2G44R8J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50135286
(CHEMBL3745885)Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28) | PDB MMDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description Inhibition of human PKAcbeta using [KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK] as substrate |
Bioorg Med Chem 24: 521-44 (2016)
Article DOI: 10.1016/j.bmc.2015.11.045 BindingDB Entry DOI: 10.7270/Q24Q7WT8 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50519662
(CHEMBL4438748)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human PKAcbeta using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiomet... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143 BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50150701
(7-(4-(H-imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-...)Show SMILES CN(C)C(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:11| Show InChI InChI=1S/C25H22N6O3/c1-28(2)25(34)30-11-10-29-14-17(16-7-5-6-15(13-30)22(16)29)20-21(24(33)27-23(20)32)18-12-26-19-8-3-4-9-31(18)19/h3-9,12,14H,10-11,13H2,1-2H3,(H,27,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human Protein kinase A beta |
J Med Chem 47: 3934-7 (2004)
Article DOI: 10.1021/jm049768a BindingDB Entry DOI: 10.7270/Q2B56KG1 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50150700
(7-(4-Imidazo[1,2-a]pyridin-3-yl-2,5-dioxo-2,5-dihy...)Show SMILES CC(C)OC(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:12| Show InChI InChI=1S/C26H23N5O4/c1-15(2)35-26(34)30-11-10-29-14-18(17-7-5-6-16(13-30)23(17)29)21-22(25(33)28-24(21)32)19-12-27-20-8-3-4-9-31(19)20/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,28,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human Protein kinase A beta |
J Med Chem 47: 3934-7 (2004)
Article DOI: 10.1021/jm049768a BindingDB Entry DOI: 10.7270/Q2B56KG1 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50150702
(3-Imidazo[1,2-a]pyridin-3-yl-4-[2-(piperidine-1-ca...)Show SMILES O=C(N1CCCCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:15| Show InChI InChI=1S/C28H26N6O3/c35-26-23(24(27(36)30-26)21-15-29-22-9-2-5-12-34(21)22)20-17-32-13-14-33(28(37)31-10-3-1-4-11-31)16-18-7-6-8-19(20)25(18)32/h2,5-9,12,15,17H,1,3-4,10-11,13-14,16H2,(H,30,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human Protein kinase A beta |
J Med Chem 47: 3934-7 (2004)
Article DOI: 10.1021/jm049768a BindingDB Entry DOI: 10.7270/Q2B56KG1 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50150698
(3-(imidazo[1,2-a]pyridin-3-yl)-4-(2-(morpholine-4-...)Show SMILES O=C(N1CCOCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:15| Show InChI InChI=1S/C27H24N6O4/c34-25-22(23(26(35)29-25)20-14-28-21-6-1-2-7-33(20)21)19-16-31-8-9-32(27(36)30-10-12-37-13-11-30)15-17-4-3-5-18(19)24(17)31/h1-7,14,16H,8-13,15H2,(H,29,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human Protein kinase A beta |
J Med Chem 47: 3934-7 (2004)
Article DOI: 10.1021/jm049768a BindingDB Entry DOI: 10.7270/Q2B56KG1 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50150699
(3-(9-fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetr...)Show SMILES Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)C(=O)N1CCCCC1 |t:11| Show InChI InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human Protein kinase A beta |
J Med Chem 47: 3934-7 (2004)
Article DOI: 10.1021/jm049768a BindingDB Entry DOI: 10.7270/Q2B56KG1 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50150697
(3-Imidazo[1,2-a]pyridin-3-yl-4-[9-methyl-2-(piperi...)Show SMILES Cc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)C(=O)N1CCCCC1 |t:11| Show InChI InChI=1S/C29H28N6O3/c1-18-13-19-16-34(29(38)32-8-4-2-5-9-32)12-11-33-17-21(20(14-18)26(19)33)24-25(28(37)31-27(24)36)22-15-30-23-7-3-6-10-35(22)23/h3,6-7,10,13-15,17H,2,4-5,8-9,11-12,16H2,1H3,(H,31,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human Protein kinase A beta |
J Med Chem 47: 3934-7 (2004)
Article DOI: 10.1021/jm049768a BindingDB Entry DOI: 10.7270/Q2B56KG1 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50342212
(1-[1-(3-Dimethylaminopropyl)-1H-indol-3-yl]-3-(4-p...)Show SMILES CN(C)CCCn1cc(NC(=O)Nc2nccc(n2)-c2ccccc2)c2ccccc12 Show InChI InChI=1S/C24H26N6O/c1-29(2)15-8-16-30-17-21(19-11-6-7-12-22(19)30)27-24(31)28-23-25-14-13-20(26-23)18-9-4-3-5-10-18/h3-7,9-14,17H,8,15-16H2,1-2H3,(H2,25,26,27,28,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 2.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter& Gamble Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of PKA activity using neurogranin as a substrate in presence of 50 uM ATP by mass spectrometry |
Bioorg Med Chem 19: 2742-50 (2011)
Article DOI: 10.1016/j.bmc.2011.02.036 BindingDB Entry DOI: 10.7270/Q2G44R8J |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50194671
(4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(2-(...)Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1OC1CCN(C)CC1)C(F)(F)F Show InChI InChI=1S/C30H30F3N5O2/c1-18-4-5-20(15-24(18)19-6-8-25-21(14-19)17-35-29(34-2)37-25)28(39)36-26-16-22(30(31,32)33)7-9-27(26)40-23-10-12-38(3)13-11-23/h4-9,14-17,23H,10-13H2,1-3H3,(H,36,39)(H,34,35,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description Inhibition of PKAbeta by HTRF kinase assay |
J Med Chem 49: 5671-86 (2006)
Article DOI: 10.1021/jm0605482 BindingDB Entry DOI: 10.7270/Q29G5MFD |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50194668
(4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6...)Show SMILES Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C29H28F3N5O2/c1-19-5-6-21(27(38)35-24-4-2-3-23(17-24)29(30,31)32)16-25(19)20-7-8-26-22(15-20)18-34-28(36-26)33-9-10-37-11-13-39-14-12-37/h2-8,15-18H,9-14H2,1H3,(H,35,38)(H,33,34,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description Inhibition of PKAbeta by HTRF kinase assay |
J Med Chem 49: 5671-86 (2006)
Article DOI: 10.1021/jm0605482 BindingDB Entry DOI: 10.7270/Q29G5MFD |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM31085
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PCBioAssay
| n/a | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2J38QW0 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM17055
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10| Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| PCBioAssay
| n/a | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2J38QW0 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM31094
(PKC-412 | cid_24202429)Show SMILES [H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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PC cid PC sid UniChem
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| PCBioAssay
| n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2J38QW0 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM31096
(CHEMBL290084 | Staurosporine | cid_451705)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+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| PCBioAssay
| n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2J38QW0 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50326053
(CHEMBL608533 | PKC-412)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding affinity to PKAC-beta |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50308060
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding affinity to PKAC-beta |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50026612
(BIBF-1120 | Nintedanib | US10981896, Compound Nint...)Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50308060
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50326053
(CHEMBL608533 | PKC-412)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(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
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50326053
(CHEMBL608533 | PKC-412)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
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Similars
| Article PubMed
| n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for full-length PKAC-beta |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(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
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| PDB Article PubMed
| n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for full-length PKAC-beta |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM13535
(4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin...)Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 Show InChI InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding affinity to PKAC-beta |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding affinity to PKAC-beta |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50300690
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding affinity to PKAC-beta |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50326054
(CHEMBL1240703)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O5/c1-35-31(43-3)23(37(2)34(42)18-11-5-4-6-12-18)17-24(44-35)38-21-15-9-7-13-19(21)25-27-28(33(41)36-32(27)40)26-20-14-8-10-16-22(20)39(35)30(26)29(25)38/h4-16,23-24,31,33,41H,17H2,1-3H3,(H,36,40)/t23-,24-,31-,33+,35+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding affinity to PKAC-beta |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding affinity to PKAC-beta |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM4851
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50355494
(CHEMBL1908396)Show SMILES COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1 Show InChI InChI=1S/C24H24N4O5S/c1-14(23-26-9-10-34-23)27-24(29)28-17-6-5-15(11-20(17)30-2)33-19-7-8-25-18-13-22(32-4)21(31-3)12-16(18)19/h5-14H,1-4H3,(H2,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM25117
(AG-013736 | AXITINIB | N-methyl-2-({3-[(E)-2-(pyri...)Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1 Show InChI InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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MCE PC cid PC sid UniChem
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM15138
(5-indazolyl pyridine 11g | 5-{5-[(2S)-2-amino-3-ph...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r| Show InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM6568
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)| Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM32362
(5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]m...)Show InChI InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM25919
(BMS-345541 | BMS345541 | CHEMBL471496 | N-(2-amino...)Show InChI InChI=1S/C14H17N5/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM21079
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
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| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50355501
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM12621
(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)Show SMILES COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM60665
(BDBM50249542 | US9145414, R406 | US9212178, R406)Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC Show InChI InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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DrugBank MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit beta
(Homo sapiens (Human)) | BDBM50300690
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PKAC-beta kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |