Found 11 hits of kd for UniProtKB: P13861 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 type II-alpha regulatory subunit
(Homo sapiens) | BDBM50455166
(CHEMBL4203735)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCOCCN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CCCCN)C(O)=O |r,t:18| Show InChI InChI=1S/C102H181N23O23/c1-62(2)55-76(119-89(133)73(39-25-32-46-105)114-87(131)71(37-23-30-44-103)112-82(127)61-148-54-53-147-52-51-146-50-49-108)90(134)109-67(11)84(128)113-72(38-24-31-45-104)88(132)121-80(59-70-35-21-20-22-36-70)93(137)120-79(58-65(7)8)94(138)123-83(66(9)10)97(141)122-81(60-126)96(140)125-102(15)43-29-19-17-16-18-28-42-101(14,99(144)110-69(13)86(130)118-78(57-64(5)6)92(136)116-75(98(142)143)41-27-34-48-107)124-95(139)74(40-26-33-47-106)115-91(135)77(56-63(3)4)117-85(129)68(12)111-100(102)145/h16-17,20-22,35-36,62-69,71-81,83,126H,18-19,23-34,37-61,103-108H2,1-15H3,(H,109,134)(H,110,144)(H,111,145)(H,112,127)(H,113,128)(H,114,131)(H,115,135)(H,116,136)(H,117,129)(H,118,130)(H,119,133)(H,120,137)(H,121,132)(H,122,141)(H,123,138)(H,124,139)(H,125,140)(H,142,143)/b17-16+/t67-,68-,69-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,83-,101-,102-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
University of Georgia
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human full length PKA-R2alpha expressed in Escherichia coli BL21 DE3-RIL cells assessed as reduction in interaction w... |
Bioorg Med Chem 26: 1174-1178 (2018)
Article DOI: 10.1016/j.bmc.2018.02.001
BindingDB Entry DOI: 10.7270/Q2F47RQ6 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase type II-alpha regulatory subunit
(Homo sapiens) | BDBM50455163
(CHEMBL4207455)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCOCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r,t:92| Show InChI InChI=1S/C99H174N22O23/c1-59(2)52-73-88(131)106-67(14)84(127)120-98(15,96(140)107-66(13)83(126)114-75(54-61(5)6)90(133)112-72(95(138)139)39-27-33-45-103)40-28-19-17-18-20-29-41-99(16,97(141)108-65(12)82(125)113-73)121-93(136)78(57-122)118-94(137)80(63(9)10)119-92(135)76(55-62(7)8)116-91(134)77(56-68-34-22-21-23-35-68)117-86(129)70(37-25-31-43-101)110-81(124)64(11)105-89(132)74(53-60(3)4)115-87(130)71(38-26-32-44-102)111-85(128)69(36-24-30-42-100)109-79(123)58-144-51-50-143-49-48-142-47-46-104/h17-18,21-23,34-35,59-67,69-78,80,122H,19-20,24-33,36-58,100-104H2,1-16H3,(H,105,132)(H,106,131)(H,107,140)(H,108,141)(H,109,123)(H,110,124)(H,111,128)(H,112,133)(H,113,125)(H,114,126)(H,115,130)(H,116,134)(H,117,129)(H,118,137)(H,119,135)(H,120,127)(H,121,136)(H,138,139)/b18-17+/t64-,65-,66-,67-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,98-,99-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a |
University of Georgia
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human full length PKA-R2alpha expressed in Escherichia coli BL21 DE3-RIL cells assessed as reduction in interaction w... |
Bioorg Med Chem 26: 1174-1178 (2018)
Article DOI: 10.1016/j.bmc.2018.02.001
BindingDB Entry DOI: 10.7270/Q2F47RQ6 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase type II-alpha regulatory subunit
(Homo sapiens) | BDBM50455161
(CHEMBL4211508)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCOCCN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CCCCN)C(O)=O |r,t:18| Show InChI InChI=1S/C99H174N22O23/c1-59(2)52-73(116-86(129)70(37-25-31-43-101)110-85(128)69(36-24-30-42-100)109-79(123)58-144-51-50-143-49-48-142-47-46-104)87(130)106-64(11)81(124)105-65(12)82(125)115-77(56-68-34-22-21-23-35-68)90(133)117-76(55-62(7)8)91(134)119-80(63(9)10)94(137)118-78(57-122)93(136)121-99(16)41-29-20-18-17-19-28-40-98(15,96(140)107-67(14)84(127)114-75(54-61(5)6)89(132)112-72(95(138)139)39-27-33-45-103)120-92(135)71(38-26-32-44-102)111-88(131)74(53-60(3)4)113-83(126)66(13)108-97(99)141/h17-18,21-23,34-35,59-67,69-78,80,122H,19-20,24-33,36-58,100-104H2,1-16H3,(H,105,124)(H,106,130)(H,107,140)(H,108,141)(H,109,123)(H,110,128)(H,111,131)(H,112,132)(H,113,126)(H,114,127)(H,115,125)(H,116,129)(H,117,133)(H,118,137)(H,119,134)(H,120,135)(H,121,136)(H,138,139)/b18-17+/t64-,65-,66-,67-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,98-,99-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a |
University of Georgia
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human full length PKA-R2alpha expressed in Escherichia coli BL21 DE3-RIL cells assessed as reduction in interaction w... |
Bioorg Med Chem 26: 1174-1178 (2018)
Article DOI: 10.1016/j.bmc.2018.02.001
BindingDB Entry DOI: 10.7270/Q2F47RQ6 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase type II-alpha regulatory subunit
(Homo sapiens) | BDBM50455160
(CHEMBL4204708)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCOCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r,t:91| Show InChI InChI=1S/C102H181N23O22/c1-62(2)56-77(120-90(133)74(40-26-33-47-105)115-88(131)72(38-24-31-45-103)113-82(126)61-147-55-54-146-53-52-145-51-50-108)91(134)109-67(11)84(127)114-73(39-25-32-46-104)89(132)122-81(60-71-36-22-21-23-37-71)94(137)121-80(59-65(7)8)95(138)123-83(66(9)10)97(140)110-70(14)87(130)124-101(15)43-29-19-17-18-20-30-44-102(16,100(144)112-69(13)86(129)119-79(58-64(5)6)93(136)117-76(98(141)142)42-28-35-49-107)125-96(139)75(41-27-34-48-106)116-92(135)78(57-63(3)4)118-85(128)68(12)111-99(101)143/h17-18,21-23,36-37,62-70,72-81,83H,19-20,24-35,38-61,103-108H2,1-16H3,(H,109,134)(H,110,140)(H,111,143)(H,112,144)(H,113,126)(H,114,127)(H,115,131)(H,116,135)(H,117,136)(H,118,128)(H,119,129)(H,120,133)(H,121,137)(H,122,132)(H,123,138)(H,124,130)(H,125,139)(H,141,142)/b18-17+/t67-,68-,69-,70-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,83-,101-,102-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a |
University of Georgia
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human full length PKA-R2alpha expressed in Escherichia coli BL21 DE3-RIL cells assessed as reduction in interaction w... |
Bioorg Med Chem 26: 1174-1178 (2018)
Article DOI: 10.1016/j.bmc.2018.02.001
BindingDB Entry DOI: 10.7270/Q2F47RQ6 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase type II-alpha regulatory subunit
(Homo sapiens) | BDBM50455162
(CHEMBL4215761)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCOCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r,t:88| Show InChI InChI=1S/C99H174N22O23/c1-59(2)52-73(113-82(125)65(12)105-85(128)69(36-24-30-42-100)109-79(123)58-144-51-50-143-49-48-142-47-46-104)87(130)106-64(11)81(124)110-70(37-25-31-43-101)86(129)117-77(56-68-34-22-21-23-35-68)90(133)116-76(55-62(7)8)91(134)119-80(63(9)10)94(137)118-78(57-122)93(136)121-99(16)41-29-20-18-17-19-28-40-98(15,96(140)107-67(14)84(127)115-75(54-61(5)6)89(132)112-72(95(138)139)39-27-33-45-103)120-92(135)71(38-26-32-44-102)111-88(131)74(53-60(3)4)114-83(126)66(13)108-97(99)141/h17-18,21-23,34-35,59-67,69-78,80,122H,19-20,24-33,36-58,100-104H2,1-16H3,(H,105,128)(H,106,130)(H,107,140)(H,108,141)(H,109,123)(H,110,124)(H,111,131)(H,112,132)(H,113,125)(H,114,126)(H,115,127)(H,116,133)(H,117,129)(H,118,137)(H,119,134)(H,120,135)(H,121,136)(H,138,139)/b18-17+/t64-,65-,66-,67-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,98-,99-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a |
University of Georgia
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human full length PKA-R2alpha expressed in Escherichia coli BL21 DE3-RIL cells assessed as reduction in interaction w... |
Bioorg Med Chem 26: 1174-1178 (2018)
Article DOI: 10.1016/j.bmc.2018.02.001
BindingDB Entry DOI: 10.7270/Q2F47RQ6 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase type II-alpha regulatory subunit
(Homo sapiens) | BDBM50455167
(CHEMBL4211816)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCOCCN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](C)C(O)=O |r,t:18| Show InChI InChI=1S/C99H174N22O23/c1-59(2)52-73(88(131)106-67(14)95(138)139)113-82(125)65(12)107-96(140)98(15)40-28-19-17-18-20-29-41-99(16,97(141)108-66(13)83(126)114-75(54-61(5)6)89(132)112-72(92(135)120-98)39-27-33-45-103)121-93(136)78(57-122)118-94(137)80(63(9)10)119-91(134)76(55-62(7)8)116-90(133)77(56-68-34-22-21-23-35-68)117-85(128)70(37-25-31-43-101)110-81(124)64(11)105-87(130)74(53-60(3)4)115-86(129)71(38-26-32-44-102)111-84(127)69(36-24-30-42-100)109-79(123)58-144-51-50-143-49-48-142-47-46-104/h17-18,21-23,34-35,59-67,69-78,80,122H,19-20,24-33,36-58,100-104H2,1-16H3,(H,105,130)(H,106,131)(H,107,140)(H,108,141)(H,109,123)(H,110,124)(H,111,127)(H,112,132)(H,113,125)(H,114,126)(H,115,129)(H,116,133)(H,117,128)(H,118,137)(H,119,134)(H,120,135)(H,121,136)(H,138,139)/b18-17+/t64-,65-,66-,67-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,98-,99-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a |
University of Georgia
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human full length PKA-R2alpha expressed in Escherichia coli BL21 DE3-RIL cells assessed as reduction in interaction w... |
Bioorg Med Chem 26: 1174-1178 (2018)
Article DOI: 10.1016/j.bmc.2018.02.001
BindingDB Entry DOI: 10.7270/Q2F47RQ6 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase type II-alpha regulatory subunit
(Homo sapiens) | BDBM50455158
(CHEMBL4204281)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCOCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r,t:85| Show InChI InChI=1S/C96H177N23O23/c1-57(2)51-71(115-84(128)68(35-23-30-42-99)109-83(127)66(33-21-28-40-97)107-76(121)56-142-50-49-141-48-47-140-46-45-102)85(129)104-62(11)78(122)108-67(34-22-29-41-98)82(126)103-63(12)79(123)114-74(54-60(7)8)88(132)117-77(61(9)10)91(135)116-75(55-120)90(134)119-96(16)39-27-20-18-17-19-26-38-95(15,93(138)105-65(14)81(125)113-73(53-59(5)6)87(131)111-70(92(136)137)37-25-32-44-101)118-89(133)69(36-24-31-43-100)110-86(130)72(52-58(3)4)112-80(124)64(13)106-94(96)139/h17-18,57-75,77,120H,19-56,97-102H2,1-16H3,(H,103,126)(H,104,129)(H,105,138)(H,106,139)(H,107,121)(H,108,122)(H,109,127)(H,110,130)(H,111,131)(H,112,124)(H,113,125)(H,114,123)(H,115,128)(H,116,135)(H,117,132)(H,118,133)(H,119,134)(H,136,137)/b18-17+/t62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,77-,95-,96-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a |
University of Georgia
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human full length PKA-R2alpha expressed in Escherichia coli BL21 DE3-RIL cells assessed as reduction in interaction w... |
Bioorg Med Chem 26: 1174-1178 (2018)
Article DOI: 10.1016/j.bmc.2018.02.001
BindingDB Entry DOI: 10.7270/Q2F47RQ6 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase type II-alpha regulatory subunit
(Homo sapiens) | BDBM50455156
(CHEMBL4213005)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)COCCOCCOCCN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CCCCN)C(O)=O |r,t:18| Show InChI InChI=1S/C99H174N22O23/c1-59(2)52-73(115-85(128)69(36-24-30-42-100)109-81(124)64(11)105-79(123)58-144-51-50-143-49-48-142-47-46-104)87(130)106-65(12)82(125)110-70(37-25-31-43-101)86(129)117-77(56-68-34-22-21-23-35-68)90(133)116-76(55-62(7)8)91(134)119-80(63(9)10)94(137)118-78(57-122)93(136)121-99(16)41-29-20-18-17-19-28-40-98(15,96(140)107-67(14)84(127)114-75(54-61(5)6)89(132)112-72(95(138)139)39-27-33-45-103)120-92(135)71(38-26-32-44-102)111-88(131)74(53-60(3)4)113-83(126)66(13)108-97(99)141/h17-18,21-23,34-35,59-67,69-78,80,122H,19-20,24-33,36-58,100-104H2,1-16H3,(H,105,123)(H,106,130)(H,107,140)(H,108,141)(H,109,124)(H,110,125)(H,111,131)(H,112,132)(H,113,126)(H,114,127)(H,115,128)(H,116,133)(H,117,129)(H,118,137)(H,119,134)(H,120,135)(H,121,136)(H,138,139)/b18-17+/t64-,65-,66-,67-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,98-,99-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 193 | n/a | n/a | n/a | n/a | n/a |
University of Georgia
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human full length PKA-R2alpha expressed in Escherichia coli BL21 DE3-RIL cells assessed as reduction in interaction w... |
Bioorg Med Chem 26: 1174-1178 (2018)
Article DOI: 10.1016/j.bmc.2018.02.001
BindingDB Entry DOI: 10.7270/Q2F47RQ6 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase type II-alpha regulatory subunit
(Homo sapiens) | BDBM50455159
(CHEMBL4205523)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCOCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(O)=O |r,t:92| Show InChI InChI=1S/C99H175N23O23/c1-60(2)54-74(116-87(131)71(38-24-31-45-102)112-85(129)69(36-22-29-43-100)110-79(124)59-145-53-52-144-51-50-143-49-48-105)88(132)107-65(10)82(126)111-70(37-23-30-44-101)86(130)118-77(57-68-34-20-19-21-35-68)90(134)117-76(56-62(5)6)91(135)120-80(63(7)8)94(138)119-78(58-123)93(137)122-99(14)42-28-18-16-15-17-27-41-98(13,96(141)108-66(11)81(125)106-64(9)83(127)114-73(95(139)140)40-26-33-47-104)121-92(136)72(39-25-32-46-103)113-89(133)75(55-61(3)4)115-84(128)67(12)109-97(99)142/h15-16,19-21,34-35,60-67,69-78,80,123H,17-18,22-33,36-59,100-105H2,1-14H3,(H,106,125)(H,107,132)(H,108,141)(H,109,142)(H,110,124)(H,111,126)(H,112,129)(H,113,133)(H,114,127)(H,115,128)(H,116,131)(H,117,134)(H,118,130)(H,119,138)(H,120,135)(H,121,136)(H,122,137)(H,139,140)/b16-15+/t64-,65-,66-,67-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,98-,99-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 283 | n/a | n/a | n/a | n/a | n/a |
University of Georgia
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human full length PKA-R2alpha expressed in Escherichia coli BL21 DE3-RIL cells assessed as reduction in interaction w... |
Bioorg Med Chem 26: 1174-1178 (2018)
Article DOI: 10.1016/j.bmc.2018.02.001
BindingDB Entry DOI: 10.7270/Q2F47RQ6 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase type II-alpha regulatory subunit
(Homo sapiens) | BDBM50455165
(CHEMBL4203911)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCOCCN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CCCCN)C(O)=O |r,t:18| Show InChI InChI=1S/C99H175N23O23/c1-60(2)54-74-88(132)113-72(39-25-32-46-103)92(136)121-98(13,96(141)108-67(12)84(128)116-75(55-61(3)4)89(133)114-73(95(139)140)40-26-33-47-104)41-27-17-15-16-18-28-42-99(14,97(142)109-66(11)83(127)115-74)122-93(137)78(58-123)119-94(138)80(63(7)8)120-91(135)76(56-62(5)6)117-90(134)77(57-68-34-20-19-21-35-68)118-87(131)71(38-24-31-45-102)111-82(126)65(10)106-81(125)64(9)107-85(129)70(37-23-30-44-101)112-86(130)69(36-22-29-43-100)110-79(124)59-145-53-52-144-51-50-143-49-48-105/h15-16,19-21,34-35,60-67,69-78,80,123H,17-18,22-33,36-59,100-105H2,1-14H3,(H,106,125)(H,107,129)(H,108,141)(H,109,142)(H,110,124)(H,111,126)(H,112,130)(H,113,132)(H,114,133)(H,115,127)(H,116,128)(H,117,134)(H,118,131)(H,119,138)(H,120,135)(H,121,136)(H,122,137)(H,139,140)/b16-15+/t64-,65-,66-,67-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,98-,99-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | >730 | n/a | n/a | n/a | n/a | n/a |
University of Georgia
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human full length PKA-R2alpha expressed in Escherichia coli BL21 DE3-RIL cells assessed as reduction in interaction w... |
Bioorg Med Chem 26: 1174-1178 (2018)
Article DOI: 10.1016/j.bmc.2018.02.001
BindingDB Entry DOI: 10.7270/Q2F47RQ6 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase type II-alpha regulatory subunit
(Homo sapiens) | BDBM50455164
(CHEMBL4209571)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCOCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r,t:90| Show InChI InChI=1S/C100H177N23O23/c1-61(2)54-75(118-88(132)72(38-24-31-45-103)113-86(130)70(36-22-29-43-101)111-81(125)60-146-53-52-145-51-50-144-49-48-106)89(133)107-65(9)82(126)112-71(37-23-30-44-102)87(131)120-79(58-69-34-20-19-21-35-69)93(137)119-76(55-62(3)4)90(134)108-66(10)83(127)121-80(59-124)95(139)123-100(14)42-28-18-16-15-17-27-41-99(13,97(142)109-68(12)85(129)117-78(57-64(7)8)92(136)115-74(96(140)141)40-26-33-47-105)122-94(138)73(39-25-32-46-104)114-91(135)77(56-63(5)6)116-84(128)67(11)110-98(100)143/h15-16,19-21,34-35,61-68,70-80,124H,17-18,22-33,36-60,101-106H2,1-14H3,(H,107,133)(H,108,134)(H,109,142)(H,110,143)(H,111,125)(H,112,126)(H,113,130)(H,114,135)(H,115,136)(H,116,128)(H,117,129)(H,118,132)(H,119,137)(H,120,131)(H,121,127)(H,122,138)(H,123,139)(H,140,141)/b16-15+/t65-,66-,67-,68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,99-,100-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | >800 | n/a | n/a | n/a | n/a | n/a |
University of Georgia
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human full length PKA-R2alpha expressed in Escherichia coli BL21 DE3-RIL cells assessed as reduction in interaction w... |
Bioorg Med Chem 26: 1174-1178 (2018)
Article DOI: 10.1016/j.bmc.2018.02.001
BindingDB Entry DOI: 10.7270/Q2F47RQ6 |
More data for this
Ligand-Target Pair | |
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