Found 45 hits of ic50 data for polymerid = 4523 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 |
|---|
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CAMK2A using KKALRRQETVDAL as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0640 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibition of human CAMK2A using KKALRRQETVDAL as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 161: 456-467 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description
Inhibition of CamK2alpha |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092
BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50430016
(CHEMBL2335444)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C)C(O)=O |r| Show InChI InChI=1S/C197H335N67O41S2/c1-17-109(11)156(184(297)233-104-153(272)235-123(64-43-86-223-193(212)213)164(277)234-113(15)160(273)238-124(58-29-36-79-199)165(278)243-132(67-46-89-226-196(218)219)174(287)257-154(107(7)8)185(298)258-155(108(9)10)186(299)262-159(191(304)305)112(14)20-4)259-176(289)133(71-74-146(206)265)236-152(271)103-232-163(276)138(94-106(5)6)252-171(284)128(62-33-40-83-203)249-183(296)144-69-48-91-263(144)190(303)145-70-49-92-264(145)189(302)137(68-47-90-227-197(220)221)251-169(282)126(60-31-38-81-201)246-182(295)143(105-306)237-151(270)102-230-150(269)101-231-162(275)122(57-28-35-78-198)240-166(279)125(59-30-37-80-200)244-179(292)140(96-115-99-228-120-55-26-24-52-117(115)120)254-170(283)127(61-32-39-82-202)241-173(286)136(77-93-307-16)248-168(281)130(65-44-87-224-194(214)215)242-167(280)131(66-45-88-225-195(216)217)245-181(294)142(98-149(209)268)255-172(285)134(72-75-147(207)266)247-178(291)139(95-114-50-22-21-23-51-114)253-180(293)141(97-116-100-229-121-56-27-25-53-118(116)121)256-188(301)158(111(13)19-3)260-175(288)129(63-34-41-84-204)250-187(300)157(110(12)18-2)261-177(290)135(73-76-148(208)267)239-161(274)119(205)54-42-85-222-192(210)211/h21-27,50-53,55-56,99-100,106-113,119,122-145,154-159,228-229,306H,17-20,28-49,54,57-98,101-105,198-205H2,1-16H3,(H2,206,265)(H2,207,266)(H2,208,267)(H2,209,268)(H,230,269)(H,231,275)(H,232,276)(H,233,297)(H,234,277)(H,235,272)(H,236,271)(H,237,270)(H,238,273)(H,239,274)(H,240,279)(H,241,286)(H,242,280)(H,243,278)(H,244,292)(H,245,294)(H,246,295)(H,247,291)(H,248,281)(H,249,296)(H,250,300)(H,251,282)(H,252,284)(H,253,293)(H,254,283)(H,255,285)(H,256,301)(H,257,287)(H,258,298)(H,259,289)(H,260,288)(H,261,290)(H,262,299)(H,304,305)(H4,210,211,222)(H4,212,213,223)(H4,214,215,224)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)/t109-,110-,111-,112-,113-,119-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,154-,155-,156-,157-,158-,159-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NV9KK6 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50430015
(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
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NV9KK6 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50430014
(CHEMBL2335479)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#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](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C136H240N44O39/c1-18-72(14)105(176-117(203)82(45-47-94(142)181)159-95(182)65-155-110(196)86(59-67(4)5)167-113(199)79(37-23-27-51-139)163-123(209)92-43-33-57-179(92)131(217)93-44-34-58-180(93)130(216)84(42-32-56-154-136(149)150)165-109(195)76(141)35-21-25-49-137)124(210)156-66-96(183)158-77(39-29-53-151-133(143)144)111(197)157-75(17)108(194)160-78(36-22-26-50-138)112(198)161-80(40-30-54-152-134(145)146)115(201)173-103(70(10)11)126(212)175-104(71(12)13)127(213)178-107(74(16)20-3)128(214)164-83(46-48-97(184)185)114(200)168-89(62-99(188)189)120(206)169-88(61-98(186)187)119(205)162-81(41-31-55-153-135(147)148)116(202)177-106(73(15)19-2)129(215)172-90(63-100(190)191)121(207)170-91(64-101(192)193)122(208)174-102(69(8)9)125(211)171-87(60-68(6)7)118(204)166-85(132(218)219)38-24-28-52-140/h67-93,102-107H,18-66,137-141H2,1-17H3,(H2,142,181)(H,155,196)(H,156,210)(H,157,197)(H,158,183)(H,159,182)(H,160,194)(H,161,198)(H,162,205)(H,163,209)(H,164,214)(H,165,195)(H,166,204)(H,167,199)(H,168,200)(H,169,206)(H,170,207)(H,171,211)(H,172,215)(H,173,201)(H,174,208)(H,175,212)(H,176,203)(H,177,202)(H,178,213)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H,192,193)(H,218,219)(H4,143,144,151)(H4,145,146,152)(H4,147,148,153)(H4,149,150,154)/t72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,102-,103-,104-,105-,106-,107-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2NV9KK6 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50163748
((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O Show InChI InChI=1S/C21H20N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,24-25H,1-2H3,(H,22,23)/b7-3+,8-4+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Rajiv Gandhi Centre for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min in prese... |
Bioorg Med Chem 20: 6040-7 (2012)
Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50163745
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+ | PDB
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| Article
PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Rajiv Gandhi Centre for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min in prese... |
Bioorg Med Chem 20: 6040-7 (2012)
Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50520464
(CHEMBL4556306)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCC(=O)C1CCCCCC1)c1ccccc1 Show InChI InChI=1S/C24H31NO4S/c1-29-22-15-17-23(18-16-22)30(27,28)25(21-12-7-4-8-13-21)19-9-14-24(26)20-10-5-2-3-6-11-20/h4,7-8,12-13,15-18,20H,2-3,5-6,9-11,14,19H2,1H3 | PDB
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| Article
PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan Normal University
Curated by ChEMBL
| Assay Description
Inhibition of human CaMKIIalpha using calmodulin and syntide-2 incubated for 15 mins by ELISA |
J Med Chem 63: 1313-1327 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01779
BindingDB Entry DOI: 10.7270/Q2280C0J |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50520463
(CHEMBL4572769)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCC(=O)C1CCCCCC1)c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C30H41NO4S/c1-35-28-19-21-29(22-20-28)36(33,34)31(23-9-14-30(32)26-12-5-2-3-6-13-26)27-17-15-25(16-18-27)24-10-7-4-8-11-24/h15-22,24,26H,2-14,23H2,1H3 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan Normal University
Curated by ChEMBL
| Assay Description
Inhibition of human CaMKIIalpha using calmodulin and syntide-2 incubated for 15 mins by ELISA |
J Med Chem 63: 1313-1327 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01779
BindingDB Entry DOI: 10.7270/Q2280C0J |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50520462
(CHEMBL4515601)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCC(=O)C1CCCC1)c1ccccc1 Show InChI InChI=1S/C22H27NO4S/c1-27-20-13-15-21(16-14-20)28(25,26)23(19-10-3-2-4-11-19)17-7-12-22(24)18-8-5-6-9-18/h2-4,10-11,13-16,18H,5-9,12,17H2,1H3 | PDB
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| Article
PubMed
| n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan Normal University
Curated by ChEMBL
| Assay Description
Inhibition of human CaMKIIalpha using calmodulin and syntide-2 incubated for 15 mins by ELISA |
J Med Chem 63: 1313-1327 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01779
BindingDB Entry DOI: 10.7270/Q2280C0J |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50095952
(CHEMBL3593777)Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r| Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1 | PDB
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PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2a (unknown origin) |
Bioorg Med Chem 23: 4871-83 (2015)
Article DOI: 10.1016/j.bmc.2015.05.034
BindingDB Entry DOI: 10.7270/Q2DZ0B21 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50611755
(CHEMBL5281283) | PDB
MMDB
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| | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50087267
((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...)Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan Normal University
Curated by ChEMBL
| Assay Description
Inhibition of human CaMKIIalpha using calmodulin and syntide-2 incubated for 15 mins by ELISA |
J Med Chem 63: 1313-1327 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01779
BindingDB Entry DOI: 10.7270/Q2280C0J |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50163748
((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O Show InChI InChI=1S/C21H20N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,24-25H,1-2H3,(H,22,23)/b7-3+,8-4+ | PDB
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PubMed
| n/a | n/a | 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rajiv Gandhi Centre for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min |
Bioorg Med Chem 20: 6040-7 (2012)
Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50228744
(5-Hydroxy-Diclofenac | CHEBI:59612)Show InChI InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 1.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00805
BindingDB Entry DOI: 10.7270/Q2KP863N |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50563780
(CHEMBL4795714) | PDB
MMDB
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UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of wild-type human CAMK2alpha using KKALRRQETVDAL peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric h... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50163748
((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O Show InChI InChI=1S/C21H20N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,24-25H,1-2H3,(H,22,23)/b7-3+,8-4+ | PDB
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rajiv Gandhi Centre for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min |
Bioorg Med Chem 20: 6040-7 (2012)
Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50163748
((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O Show InChI InChI=1S/C21H20N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,24-25H,1-2H3,(H,22,23)/b7-3+,8-4+ | PDB
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UniChem
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PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rajiv Gandhi Centre for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of alphaCaMK2 autophosphorylation at Thr286 using [gamma32P]ATP incubated for 30 secs prior to ATP addition measured after 30 secs |
Bioorg Med Chem 20: 6040-7 (2012)
Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50188913
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description
Inhibition of CamK2alpha |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092
BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM236557
(US9365572, 5)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1 Show InChI InChI=1S/C22H13F3N6O2/c23-22(24,25)12-2-1-3-13(8-12)31-19-14(20(32)30-21(31)33)10-27-16-6-5-15(29-18(16)19)11-4-7-17(26)28-9-11/h1-10H,(H2,26,28)(H,30,32,33) | PDB
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| PC cid
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UniChem
| US Patent
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | 28 |
Xuanzhu Pharma Co., Ltd.
US Patent
| Assay Description
Agents: 1-fold kinase buffer without MnCl2: 50 mM HEPES, pH 7.5, 0.0015% Brij-35, 10 mM MgCl2, 2 mM DTT. 1-fold kinase buffer with MnCl2: 50 mM HEPES... |
US Patent US9365572 (2016)
BindingDB Entry DOI: 10.7270/Q20C4TNC |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50427874
(CHEMBL2324596)Show InChI InChI=1S/C13H12N4/c1-9-3-2-4-10(5-9)6-12-11-7-14-8-15-13(11)17-16-12/h2-5,7-8H,6H2,1H3,(H,14,15,16,17) | PDB
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UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human alphaCaMK2 by CaM kinase 2 assay |
J Med Chem 56: 3068-77 (2013)
Article DOI: 10.1021/jm4001314
BindingDB Entry DOI: 10.7270/Q2QN6842 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50519662
(CHEMBL4438748)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human CaMK2alpha using KKLNRTLSFAEPG as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiome... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50235830
(CHEMBL2006765)Show SMILES CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C18H19F3N6O/c1-2-8-23-16(28)11-3-5-12(6-4-11)25-17-26-14-13(7-9-22-14)15(27-17)24-10-18(19,20)21/h3-7,9H,2,8,10H2,1H3,(H,23,28)(H3,22,24,25,26,27) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human CAMK2A (unknown origin) after 60 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5562-5567 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50235817
(CHEMBL4078893)Show SMILES FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12 Show InChI InChI=1S/C18H17ClF3N5O2/c19-12-9-11(1-2-14(12)27-4-7-28-8-5-27)24-17-25-13-3-6-29-15(13)16(26-17)23-10-18(20,21)22/h1-3,6,9H,4-5,7-8,10H2,(H2,23,24,25,26) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human CAMK2A (unknown origin) after 60 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5562-5567 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50235820
(CHEMBL4066664)Show InChI InChI=1S/C15H11F3N6O/c16-15(17,18)7-19-13-12-10(3-4-25-12)22-14(23-13)21-9-2-1-8-6-20-24-11(8)5-9/h1-6H,7H2,(H,20,24)(H2,19,21,22,23) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human CAMK2A (unknown origin) after 60 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5562-5567 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50235816
(CHEMBL4069365)Show SMILES CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12 Show InChI InChI=1S/C19H18F3N5O3/c1-18(2)11-4-3-10(7-13(11)25-14(28)8-30-18)24-17-26-12-5-6-29-15(12)16(27-17)23-9-19(20,21)22/h3-7H,8-9H2,1-2H3,(H,25,28)(H2,23,24,26,27) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human CAMK2A (unknown origin) after 60 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5562-5567 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50235833
(CHEMBL4062803)Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 26: 5562-5567 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50135286
(CHEMBL3745885)Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human CAMK2alpha using [KKLNRTLSFAEPG] as substrate |
Bioorg Med Chem 24: 521-44 (2016)
Article DOI: 10.1016/j.bmc.2015.11.045
BindingDB Entry DOI: 10.7270/Q24Q7WT8 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50163745
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+ | PDB
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| n/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rajiv Gandhi Centre for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min |
Bioorg Med Chem 20: 6040-7 (2012)
Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50067040
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4| Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3 | PDB
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| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rajiv Gandhi Centre for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min |
Bioorg Med Chem 20: 6040-7 (2012)
Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50163745
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+ | PDB
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| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rajiv Gandhi Centre for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of alphaCaMK2 autophosphorylation at Thr286 using [gamma32P]ATP incubated for 30 secs prior to ATP addition measured after 30 secs |
Bioorg Med Chem 20: 6040-7 (2012)
Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50163744
((1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl...)Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O |w:6.6,13.13| Show InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3 | PDB
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| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rajiv Gandhi Centre for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min |
Bioorg Med Chem 20: 6040-7 (2012)
Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50163745
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+ | PDB
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| n/a | n/a | 2.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rajiv Gandhi Centre for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min |
Bioorg Med Chem 20: 6040-7 (2012)
Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50067040
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4| Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3 | PDB
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| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rajiv Gandhi Centre for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of alphaCaMK2 autophosphorylation at Thr286 using [gamma32P]ATP incubated for 30 secs prior to ATP addition measured after 30 secs |
Bioorg Med Chem 20: 6040-7 (2012)
Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50067040
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4| Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3 | PDB
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| n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rajiv Gandhi Centre for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min in prese... |
Bioorg Med Chem 20: 6040-7 (2012)
Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50059989
((1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-phenyl)-he...)Show SMILES Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1 |w:12.11,5.4| Show InChI InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2 | PDB
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| n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rajiv Gandhi Centre for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min |
Bioorg Med Chem 20: 6040-7 (2012)
Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50391730
(CHEMBL258741)Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccccc2)ccc1O Show InChI InChI=1S/C27H24N2O4/c1-32-26-16-19(10-14-24(26)30)8-12-21-18-23(29(28-21)22-6-4-3-5-7-22)13-9-20-11-15-25(31)27(17-20)33-2/h3-18,30-31H,1-2H3/b12-8+,13-9+ | PDB
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| n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rajiv Gandhi Centre for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min |
Bioorg Med Chem 20: 6040-7 (2012)
Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50380246
(CHEMBL2017214)Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1 Show InChI InChI=1S/C21H26N8S/c1-30-16-5-3-2-4-15(16)26-20-17-18(19(25-13-24-17)23-12-14-6-7-14)27-21(28-20)29-10-8-22-9-11-29/h2-5,13-14,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28) | PDB
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| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CAMK2A |
ACS Med Chem Lett 2: 538-543 (2011)
Article DOI: 10.1021/ml200070g
BindingDB Entry DOI: 10.7270/Q2NZ88N1 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50067040
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4| Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3 | PDB
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| n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rajiv Gandhi Centre for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min |
Bioorg Med Chem 20: 6040-7 (2012)
Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50391730
(CHEMBL258741)Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccccc2)ccc1O Show InChI InChI=1S/C27H24N2O4/c1-32-26-16-19(10-14-24(26)30)8-12-21-18-23(29(28-21)22-6-4-3-5-7-22)13-9-20-11-15-25(31)27(17-20)33-2/h3-18,30-31H,1-2H3/b12-8+,13-9+ | PDB
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| n/a | n/a | 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rajiv Gandhi Centre for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min in prese... |
Bioorg Med Chem 20: 6040-7 (2012)
Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50391730
(CHEMBL258741)Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccccc2)ccc1O Show InChI InChI=1S/C27H24N2O4/c1-32-26-16-19(10-14-24(26)30)8-12-21-18-23(29(28-21)22-6-4-3-5-7-22)13-9-20-11-15-25(31)27(17-20)33-2/h3-18,30-31H,1-2H3/b12-8+,13-9+ | PDB
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| n/a | n/a | 7.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rajiv Gandhi Centre for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min |
Bioorg Med Chem 20: 6040-7 (2012)
Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50537742
(CHEMBL4634634 | US11179389, Compound 1-14)Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126715
BindingDB Entry DOI: 10.7270/Q2HM5CZG |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50391730
(CHEMBL258741)Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccccc2)ccc1O Show InChI InChI=1S/C27H24N2O4/c1-32-26-16-19(10-14-24(26)30)8-12-21-18-23(29(28-21)22-6-4-3-5-7-22)13-9-20-11-15-25(31)27(17-20)33-2/h3-18,30-31H,1-2H3/b12-8+,13-9+ | PDB
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| n/a | n/a | 1.11E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rajiv Gandhi Centre for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of alphaCaMK2 autophosphorylation at Thr286 using [gamma32P]ATP incubated for 30 secs prior to ATP addition measured after 30 secs |
Bioorg Med Chem 20: 6040-7 (2012)
Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50588629
(CHEMBL5170093) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.52E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00805
BindingDB Entry DOI: 10.7270/Q2KP863N |
More data for this
Ligand-Target Pair | |
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