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SMILES: CC1(C)N=C(N)N=C(N)N1c1cccc(\C=C\C=Cc2cccc(c2)[N+]([O-])=O)c1

InChI Key: InChIKey=ZZVOXTZBGFEGTL-OJQZMLLLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50436051   
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
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50436051
PNG
(CHEMBL2396935)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(\C=C\C=Cc2cccc(c2)[N+]([O-])=O)c1 |w:17.17,t:3,6|
Show InChI InChI=1S/C21H22N6O2/c1-21(2)25-19(22)24-20(23)26(21)17-11-5-9-15(13-17)7-3-4-8-16-10-6-12-18(14-16)27(28)29/h3-14H,1-2H3,(H4,22,23,24,25)/b7-3+,8-4?
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged Grb2 SH3C domain (unknown origin)-Gab2 interaction incubated 2 hrs prior to biotinylated Gab2b peptide addition ...

Bioorg Med Chem 21: 4027-33 (2013)


Article DOI: 10.1016/j.bmc.2012.10.023
BindingDB Entry DOI: 10.7270/Q2M32X4Z
More data for this
Ligand-Target Pair