Found 2 hits for monomerid = 50455159 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) | 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-beta regulatory subunit
(Homo sapiens (Human)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 557 | 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-R2beta expressed in Escherichia coli BL21 DE3-RIL cells assessed as reduction in interaction wi... |
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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