Found 2 hits for monomerid = 50455163 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-beta regulatory subunit
(Homo sapiens (Human)) | 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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 147 | 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 | |
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 | |