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BDBM50242450 CHEMBL524886::conantokin-R

SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O

InChI Key: InChIKey=XIRRXDGMZVHVEG-AZOPZXLDSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50242450   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
NMDA receptor subunit N2A (GluN2A)


(Rattus norvegicus (Rat))
BDBM50242450
PNG
(CHEMBL524886 | conantokin-R)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
Show InChI InChI=1S/C126H202N34O48S3/c1-15-57(8)93(115(189)141-62(13)96(170)145-71(24-16-19-36-127)100(174)136-51-89(165)143-83(52-209)111(185)147-73(26-18-21-38-129)104(178)157-92(56(6)7)114(188)154-80(48-86(131)162)108(182)156-84(53-210)112(186)155-82(43-63-29-31-64(161)32-30-63)116(190)160-40-23-28-85(160)125(207)208)159-110(184)81(49-87(132)163)150-99(173)65(44-66(117(191)192)118(193)194)70(27-22-39-135-126(133)134)144-95(169)60(11)139-105(179)76(42-54(2)3)151-106(180)77(45-67(119(195)196)120(197)198)149-98(172)59(10)137-94(168)58(9)138-101(175)75(35-41-211-14)148-102(176)72(25-17-20-37-128)146-97(171)61(12)140-113(187)91(55(4)5)158-109(183)79(47-69(123(203)204)124(205)206)153-107(181)78(46-68(121(199)200)122(201)202)152-103(177)74(33-34-90(166)167)142-88(164)50-130/h29-32,54-62,65-85,91-93,161,209-210H,15-28,33-53,127-130H2,1-14H3,(H2,131,162)(H2,132,163)(H,136,174)(H,137,168)(H,138,175)(H,139,179)(H,140,187)(H,141,189)(H,142,164)(H,143,165)(H,144,169)(H,145,170)(H,146,171)(H,147,185)(H,148,176)(H,149,172)(H,150,173)(H,151,180)(H,152,177)(H,153,181)(H,154,188)(H,155,186)(H,156,182)(H,157,178)(H,158,183)(H,159,184)(H,166,167)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H4,133,134,135)/t57-,58-,59-,60-,61-,62-,65?,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,91-,92-,93-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of rat NMDA NR2A receptor expressed in xenopus oocytes coexpressing NMDA NR13b assessed as effect on glycine-induced current response at -...


J Biol Chem 282: 36905-13 (2007)


Article DOI: 10.1074/jbc.M706611200
BindingDB Entry DOI: 10.7270/Q2NP246H
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2D


(Rattus norvegicus (Rat))
BDBM50242450
PNG
(CHEMBL524886 | conantokin-R)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
Show InChI InChI=1S/C126H202N34O48S3/c1-15-57(8)93(115(189)141-62(13)96(170)145-71(24-16-19-36-127)100(174)136-51-89(165)143-83(52-209)111(185)147-73(26-18-21-38-129)104(178)157-92(56(6)7)114(188)154-80(48-86(131)162)108(182)156-84(53-210)112(186)155-82(43-63-29-31-64(161)32-30-63)116(190)160-40-23-28-85(160)125(207)208)159-110(184)81(49-87(132)163)150-99(173)65(44-66(117(191)192)118(193)194)70(27-22-39-135-126(133)134)144-95(169)60(11)139-105(179)76(42-54(2)3)151-106(180)77(45-67(119(195)196)120(197)198)149-98(172)59(10)137-94(168)58(9)138-101(175)75(35-41-211-14)148-102(176)72(25-17-20-37-128)146-97(171)61(12)140-113(187)91(55(4)5)158-109(183)79(47-69(123(203)204)124(205)206)153-107(181)78(46-68(121(199)200)122(201)202)152-103(177)74(33-34-90(166)167)142-88(164)50-130/h29-32,54-62,65-85,91-93,161,209-210H,15-28,33-53,127-130H2,1-14H3,(H2,131,162)(H2,132,163)(H,136,174)(H,137,168)(H,138,175)(H,139,179)(H,140,187)(H,141,189)(H,142,164)(H,143,165)(H,144,169)(H,145,170)(H,146,171)(H,147,185)(H,148,176)(H,149,172)(H,150,173)(H,151,180)(H,152,177)(H,153,181)(H,154,188)(H,155,186)(H,156,182)(H,157,178)(H,158,183)(H,159,184)(H,166,167)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H4,133,134,135)/t57-,58-,59-,60-,61-,62-,65?,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,91-,92-,93-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of rat NMDA NR2D receptor expressed in xenopus oocytes coexpressing NMDA NR13b assessed as effect on glycine-induced current response at -...


J Biol Chem 282: 36905-13 (2007)


Article DOI: 10.1074/jbc.M706611200
BindingDB Entry DOI: 10.7270/Q2NP246H
More data for this
Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C)


(Rattus norvegicus (Rat))
BDBM50242450
PNG
(CHEMBL524886 | conantokin-R)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
Show InChI InChI=1S/C126H202N34O48S3/c1-15-57(8)93(115(189)141-62(13)96(170)145-71(24-16-19-36-127)100(174)136-51-89(165)143-83(52-209)111(185)147-73(26-18-21-38-129)104(178)157-92(56(6)7)114(188)154-80(48-86(131)162)108(182)156-84(53-210)112(186)155-82(43-63-29-31-64(161)32-30-63)116(190)160-40-23-28-85(160)125(207)208)159-110(184)81(49-87(132)163)150-99(173)65(44-66(117(191)192)118(193)194)70(27-22-39-135-126(133)134)144-95(169)60(11)139-105(179)76(42-54(2)3)151-106(180)77(45-67(119(195)196)120(197)198)149-98(172)59(10)137-94(168)58(9)138-101(175)75(35-41-211-14)148-102(176)72(25-17-20-37-128)146-97(171)61(12)140-113(187)91(55(4)5)158-109(183)79(47-69(123(203)204)124(205)206)153-107(181)78(46-68(121(199)200)122(201)202)152-103(177)74(33-34-90(166)167)142-88(164)50-130/h29-32,54-62,65-85,91-93,161,209-210H,15-28,33-53,127-130H2,1-14H3,(H2,131,162)(H2,132,163)(H,136,174)(H,137,168)(H,138,175)(H,139,179)(H,140,187)(H,141,189)(H,142,164)(H,143,165)(H,144,169)(H,145,170)(H,146,171)(H,147,185)(H,148,176)(H,149,172)(H,150,173)(H,151,180)(H,152,177)(H,153,181)(H,154,188)(H,155,186)(H,156,182)(H,157,178)(H,158,183)(H,159,184)(H,166,167)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H4,133,134,135)/t57-,58-,59-,60-,61-,62-,65?,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,91-,92-,93-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of rat NMDA NR2C receptor expressed in xenopus oocytes coexpressing NMDA NR13b assessed as effect on glycine-induced current response at -...


J Biol Chem 282: 36905-13 (2007)


Article DOI: 10.1074/jbc.M706611200
BindingDB Entry DOI: 10.7270/Q2NP246H
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50242450
PNG
(CHEMBL524886 | conantokin-R)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
Show InChI InChI=1S/C126H202N34O48S3/c1-15-57(8)93(115(189)141-62(13)96(170)145-71(24-16-19-36-127)100(174)136-51-89(165)143-83(52-209)111(185)147-73(26-18-21-38-129)104(178)157-92(56(6)7)114(188)154-80(48-86(131)162)108(182)156-84(53-210)112(186)155-82(43-63-29-31-64(161)32-30-63)116(190)160-40-23-28-85(160)125(207)208)159-110(184)81(49-87(132)163)150-99(173)65(44-66(117(191)192)118(193)194)70(27-22-39-135-126(133)134)144-95(169)60(11)139-105(179)76(42-54(2)3)151-106(180)77(45-67(119(195)196)120(197)198)149-98(172)59(10)137-94(168)58(9)138-101(175)75(35-41-211-14)148-102(176)72(25-17-20-37-128)146-97(171)61(12)140-113(187)91(55(4)5)158-109(183)79(47-69(123(203)204)124(205)206)153-107(181)78(46-68(121(199)200)122(201)202)152-103(177)74(33-34-90(166)167)142-88(164)50-130/h29-32,54-62,65-85,91-93,161,209-210H,15-28,33-53,127-130H2,1-14H3,(H2,131,162)(H2,132,163)(H,136,174)(H,137,168)(H,138,175)(H,139,179)(H,140,187)(H,141,189)(H,142,164)(H,143,165)(H,144,169)(H,145,170)(H,146,171)(H,147,185)(H,148,176)(H,149,172)(H,150,173)(H,151,180)(H,152,177)(H,153,181)(H,154,188)(H,155,186)(H,156,182)(H,157,178)(H,158,183)(H,159,184)(H,166,167)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H4,133,134,135)/t57-,58-,59-,60-,61-,62-,65?,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,91-,92-,93-/m0/s1
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UniProtKB/SwissProt

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UniChem

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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of rat NMDA NR2B receptor expressed in xenopus oocytes coexpressing NMDA NR13b assessed as effect on glycine-induced current response at -...


J Biol Chem 282: 36905-13 (2007)


Article DOI: 10.1074/jbc.M706611200
BindingDB Entry DOI: 10.7270/Q2NP246H
More data for this
Ligand-Target Pair