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BDBM50463126 CHEMBL4238599

SMILES: NC(=O)c1ccc(cc1)-c1cc(nc(c1)-c1ccc(cc1)[N+]([O-])=O)-c1ccco1

InChI Key: InChIKey=GTTDVYCKFQYVNN-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 50463126   
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
Myc proto-oncogene protein


(Homo sapiens (Human))
BDBM50463126
PNG
(CHEMBL4238599)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(nc(c1)-c1ccc(cc1)[N+]([O-])=O)-c1ccco1
Show InChI InChI=1S/C22H15N3O4/c23-22(26)16-5-3-14(4-6-16)17-12-19(15-7-9-18(10-8-15)25(27)28)24-20(13-17)21-2-1-11-29-21/h1-13H,(H2,23,26)
PDB
MMDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.5n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged Myc (unknown origin) expressed in Escherichia coli BL21 by Bio-FET analysis


Bioorg Med Chem 26: 4234-4239 (2018)


Article DOI: 10.1016/j.bmc.2018.07.019
BindingDB Entry DOI: 10.7270/Q2FJ2KDB
More data for this
Ligand-Target Pair
Myc proto-oncogene protein


(Homo sapiens (Human))
BDBM50463126
PNG
(CHEMBL4238599)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(nc(c1)-c1ccc(cc1)[N+]([O-])=O)-c1ccco1
Show InChI InChI=1S/C22H15N3O4/c23-22(26)16-5-3-14(4-6-16)17-12-19(15-7-9-18(10-8-15)25(27)28)24-20(13-17)21-2-1-11-29-21/h1-13H,(H2,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation


Bioorg Med Chem 26: 4234-4239 (2018)


Article DOI: 10.1016/j.bmc.2018.07.019
BindingDB Entry DOI: 10.7270/Q2FJ2KDB
More data for this
Ligand-Target Pair