Found 2 hits for monomerid = 50455158 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) | 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-beta regulatory subunit
(Homo sapiens (Human)) | 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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 257 | 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 | |