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BDBM61222 Imidazo[2,1-a]isoquinoline-2-carboxylic acid [1-(5-nitro-furan-2-yl)-meth-(E)-ylidene]-hydrazide::MLS000333710::N-[(5-nitro-2-furanyl)methylideneamino]-2-imidazo[2,1-a]isoquinolinecarboxamide::N-[(5-nitro-2-furyl)methyleneamino]imidaz[2,1-a]isoquinoline-2-carboxamide::N-[(5-nitrofuran-2-yl)methylideneamino]imidazo[2,1-a]isoquinoline-2-carboxamide::SMR000437838::cid_933233

SMILES: [O-][N+](=O)c1ccc(\C=N\NC(=O)c2cn3ccc4ccccc4c3n2)o1

InChI Key: InChIKey=YGERYYKGJZEUGN-GIJQJNRQSA-N

Data: 3 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 3 hits for monomerid = 61222   
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
ubiquitin-conjugating enzyme E2I


(Homo sapiens (Human))
BDBM61222
PNG
(Imidazo[2,1-a]isoquinoline-2-carboxylic acid [1-(5...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)c2cn3ccc4ccccc4c3n2)o1
Show InChI InChI=1S/C17H11N5O4/c23-17(20-18-9-12-5-6-15(26-12)22(24)25)14-10-21-8-7-11-3-1-2-4-13(11)16(21)19-14/h1-10H,(H,20,23)/b18-9+
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

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Article
PCBioAssay
n/an/a 3.51E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1021/cb4002602
BindingDB Entry DOI: 10.7270/Q2V986G8
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM61222
PNG
(Imidazo[2,1-a]isoquinoline-2-carboxylic acid [1-(5...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)c2cn3ccc4ccccc4c3n2)o1
Show InChI InChI=1S/C17H11N5O4/c23-17(20-18-9-12-5-6-15(26-12)22(24)25)14-10-21-8-7-11-3-1-2-4-13(11)16(21)19-14/h1-10H,(H,20,23)/b18-9+
PDB
MMDB

Reactome pathway
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PC cid
PC sid
UniChem

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Article
PCBioAssay
n/an/a 1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1016/j.bioorg.2013.11.005
BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61222
PNG
(Imidazo[2,1-a]isoquinoline-2-carboxylic acid [1-(5...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)c2cn3ccc4ccccc4c3n2)o1
Show InChI InChI=1S/C17H11N5O4/c23-17(20-18-9-12-5-6-15(26-12)22(24)25)14-10-21-8-7-11-3-1-2-4-13(11)16(21)19-14/h1-10H,(H,20,23)/b18-9+
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.68E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair