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BDBM50105843 2-Amino-N-{3-[4-(3-amino-propylamino)-butylamino]-propyl}-acetamide::CHEMBL313747::Joro spider toxin 3::N*1*-(5-{3-[4-(3-Amino-propylamino)-butylamino]-propionylamino}-pentyl)-2-[2-(2,4-dihydroxy-phenyl)-acetylamino]-succinamide

SMILES: NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O

InChI Key: InChIKey=SJLRBGDPTALRDM-QFIPXVFZSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50105843   
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
GRIA1


(HUMAN)
BDBM50105843
PNG
(2-Amino-N-{3-[4-(3-amino-propylamino)-butylamino]-...)
Show SMILES NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Show InChI InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of recombinant GluA1 receptor flop isoform expressed in Xenopus oocytes assessed as inhibition of 300 uM kainate-induced current by patch ...


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50105843
PNG
(2-Amino-N-{3-[4-(3-amino-propylamino)-butylamino]-...)
Show SMILES NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Show InChI InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of recombinant GluA3 receptor flop isoform expressed in Xenopus oocytes assessed as inhibition of 300 uM kainate-induced current by patch ...


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
NMDA receptor subunit N2A (GluN2A)


(Rattus norvegicus (Rat))
BDBM50105843
PNG
(2-Amino-N-{3-[4-(3-amino-propylamino)-butylamino]-...)
Show SMILES NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Show InChI InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.71E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat glutamate N1/2A receptor expressed in Xenopus oocytes at membrane potential -60 mV by two-electrode voltage-clamp electrop...


J Med Chem 55: 10297-301 (2012)


Article DOI: 10.1021/jm301255m
BindingDB Entry DOI: 10.7270/Q27S7PXR
More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50105843
PNG
(2-Amino-N-{3-[4-(3-amino-propylamino)-butylamino]-...)
Show SMILES NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Show InChI InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat GluA1 receptor expressed in Xenopus oocytes at membrane potential -60 mV by two-electrode voltage-clamp electrophysiology ...


J Med Chem 55: 10297-301 (2012)


Article DOI: 10.1021/jm301255m
BindingDB Entry DOI: 10.7270/Q27S7PXR
More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM50105843
PNG
(2-Amino-N-{3-[4-(3-amino-propylamino)-butylamino]-...)
Show SMILES NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Show InChI InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat GluK1 receptor expressed in Xenopus oocytes at membrane potential -60 mV by two-electrode voltage-clamp electrophysiology ...


J Med Chem 55: 10297-301 (2012)


Article DOI: 10.1021/jm301255m
BindingDB Entry DOI: 10.7270/Q27S7PXR
More data for this
Ligand-Target Pair