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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CAMK2A' and Ligand = 'BDBM50430015'   
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
CAMK2A


(Homo sapiens (Human))
BDBM50430015
PNG
(CHEMBL2335442)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#6])-[#6]-[#6])-[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C157H289N65O34S/c1-12-86(9)119(141(248)195-81-116(227)197-90(43-25-67-186-150(169)170)124(231)196-88(11)121(228)199-91(38-14-19-61-158)125(232)206-100(48-30-72-191-155(179)180)136(243)215-117(84(5)6)142(249)216-118(85(7)8)143(250)218-120(148(255)256)87(10)13-2)217-137(244)101(55-58-112(164)223)198-115(226)80-194-123(230)106(79-83(3)4)213-133(240)95(42-18-23-65-162)209-139(246)108-51-33-75-219(108)146(253)110-53-35-77-221(110)144(251)104(49-31-73-192-156(181)182)211-131(238)94(41-17-22-64-161)207-138(245)107(82-257)214-135(242)103(57-60-114(166)225)210-140(247)109-52-34-76-220(109)147(254)111-54-36-78-222(111)145(252)105(50-32-74-193-157(183)184)212-132(239)99(47-29-71-190-154(177)178)204-129(236)97(45-27-69-188-152(173)174)205-134(241)102(56-59-113(165)224)208-130(237)98(46-28-70-189-153(175)176)203-128(235)96(44-26-68-187-151(171)172)202-127(234)93(40-16-21-63-160)201-126(233)92(39-15-20-62-159)200-122(229)89(163)37-24-66-185-149(167)168/h83-111,117-120,257H,12-82,158-163H2,1-11H3,(H2,164,223)(H2,165,224)(H2,166,225)(H,194,230)(H,195,248)(H,196,231)(H,197,227)(H,198,226)(H,199,228)(H,200,229)(H,201,233)(H,202,234)(H,203,235)(H,204,236)(H,205,241)(H,206,232)(H,207,245)(H,208,237)(H,209,246)(H,210,247)(H,211,238)(H,212,239)(H,213,240)(H,214,242)(H,215,243)(H,216,249)(H,217,244)(H,218,250)(H,255,256)(H4,167,168,185)(H4,169,170,186)(H4,171,172,187)(H4,173,174,188)(H4,175,176,189)(H4,177,178,190)(H4,179,180,191)(H4,181,182,192)(H4,183,184,193)/t86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,117-,118-,119-,120-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length CAMK2alpha (unknown origin) using autocamtide-2 as substrate assessed as incorporation of 32P after 30 mins by ...


Eur J Med Chem 62: 425-34 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.053
More data for this
Ligand-Target Pair