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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'vernieri' and Initial = 'e'   
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))
BDBM50430016
PNG
(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
Article
PubMed
n/an/a 30n/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
BindingDB Entry DOI: 10.7270/Q2NV9KK6
More data for this
Ligand-Target Pair
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
BindingDB Entry DOI: 10.7270/Q2NV9KK6
More data for this
Ligand-Target Pair
CAMK2A


(Homo sapiens (Human))
BDBM50430014
PNG
(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
Article
PubMed
n/an/a 50n/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
BindingDB Entry DOI: 10.7270/Q2NV9KK6
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50441685
PNG
(CHEMBL2435840)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(O)=O |r,wU:46.51,8.10,2.2,wD:54.59,35.43,24.32,14.21,4.4,(31.59,-26.8,;31.59,-25.27,;32.95,-24.49,;34.27,-25.25,;32.95,-22.91,;31.59,-22.13,;30.27,-22.9,;30.27,-24.47,;28.91,-22.11,;28.91,-20.59,;30.27,-19.8,;27.59,-22.88,;26.24,-22.1,;26.24,-20.57,;24.91,-22.86,;24.91,-24.42,;26.24,-25.19,;27.64,-24.59,;28.66,-25.75,;27.88,-27.08,;26.37,-26.75,;23.55,-22.08,;22.23,-22.84,;22.23,-24.41,;20.87,-22.05,;20.87,-20.53,;22.23,-19.74,;22.23,-18.21,;23.58,-17.43,;23.58,-15.9,;22.26,-15.14,;24.94,-15.12,;19.55,-22.82,;18.19,-22.04,;18.19,-20.51,;16.87,-22.8,;16.87,-24.36,;18.19,-25.13,;18.19,-26.7,;19.51,-27.47,;19.51,-29.03,;18.16,-29.81,;20.84,-29.79,;15.51,-22.02,;14.19,-22.78,;14.19,-24.35,;12.83,-22,;12.83,-20.47,;14.19,-19.69,;14.19,-18.16,;15.55,-20.47,;11.51,-22.77,;10.16,-21.98,;10.16,-20.45,;8.82,-22.75,;8.82,-24.31,;10.15,-25.08,;10.15,-26.64,;11.48,-24.31,;7.48,-21.97,;6.14,-22.75,;6.14,-24.29,;4.8,-21.97,;3.47,-22.74,;34.27,-22.16,;35.63,-22.94,;34.27,-20.63,)|
Show InChI InChI=1S/C41H74N16O10/c1-7-23(6)32(39(66)67)57-38(65)30(19-58)56-37(64)29(16-24-18-47-20-50-24)55-34(61)26(11-9-13-49-41(45)46)52-33(60)25(10-8-12-48-40(43)44)53-36(63)28(15-22(4)5)54-35(62)27(14-21(2)3)51-31(59)17-42/h18,20-23,25-30,32,58H,7-17,19,42H2,1-6H3,(H,47,50)(H,51,59)(H,52,60)(H,53,63)(H,54,62)(H,55,61)(H,56,64)(H,57,65)(H,66,67)(H4,43,44,48)(H4,45,46,49)/t23-,25-,26+,27-,28-,29-,30-,32-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Federico II" University of Naples

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin)-mediated phosphorylation of rhodopsin in bovine-rod outer segment membranes incubated under white light conditio...


Eur J Med Chem 69: 384-92 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.039
BindingDB Entry DOI: 10.7270/Q27W6DNH
More data for this
Ligand-Target Pair