BindingDB logo
myBDB logout
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 = 'BDBM50455164'   
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)		BDBM50455164
PNG
(CHEMBL4209571)
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(=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:90|
Show InChI InChI=1S/C100H177N23O23/c1-61(2)54-75(118-88(132)72(38-24-31-45-103)113-86(130)70(36-22-29-43-101)111-81(125)60-146-53-52-145-51-50-144-49-48-106)89(133)107-65(9)82(126)112-71(37-23-30-44-102)87(131)120-79(58-69-34-20-19-21-35-69)93(137)119-76(55-62(3)4)90(134)108-66(10)83(127)121-80(59-124)95(139)123-100(14)42-28-18-16-15-17-27-41-99(13,97(142)109-68(12)85(129)117-78(57-64(7)8)92(136)115-74(96(140)141)40-26-33-47-105)122-94(138)73(39-25-32-46-104)114-91(135)77(56-63(5)6)116-84(128)67(11)110-98(100)143/h15-16,19-21,34-35,61-68,70-80,124H,17-18,22-33,36-60,101-106H2,1-14H3,(H,107,133)(H,108,134)(H,109,142)(H,110,143)(H,111,125)(H,112,126)(H,113,130)(H,114,135)(H,115,136)(H,116,128)(H,117,129)(H,118,132)(H,119,137)(H,120,131)(H,121,127)(H,122,138)(H,123,139)(H,140,141)/b16-15+/t65-,66-,67-,68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,99-,100-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>800n/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