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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cAMP-dependent protein kinase type II-alpha regulatory subunit' and Ligand = 'BDBM50455165'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
cAMP-dependent protein kinase type II-alpha regulatory subunit


(Homo sapiens)		BDBM50455165
PNG
(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/an/an/a>730n/an/an/an/an/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