Found 2 hits for monomerid = 50455160 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) | 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-beta regulatory subunit
(Homo sapiens (Human)) | 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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 124 | 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 | |