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BDBM50032913 CHEMBL1487662

SMILES: Cn1c2ccc(cc2n(C)c1=O)C(N)=O

InChI Key: InChIKey=BRBLVCVSNVSPMT-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50032913   
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
Peregrin


(Homo sapiens)
BDBM50032913
PNG
(CHEMBL1487662)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)C(N)=O
Show InChI InChI=1S/C10H11N3O2/c1-12-7-4-3-6(9(11)14)5-8(7)13(2)10(12)15/h3-5H,1-2H3,(H2,11,14)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay


ACS Med Chem Lett 5: 1190-5 (2014)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50032913
PNG
(CHEMBL1487662)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)C(N)=O
Show InChI InChI=1S/C10H11N3O2/c1-12-7-4-3-6(9(11)14)5-8(7)13(2)10(12)15/h3-5H,1-2H3,(H2,11,14)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 7.94E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6His-tagged-BRD4 BD1 Y390A mutant (1 to 477 aa) (unknown origin) by TR-FRET competitive assay


ACS Med Chem Lett 5: 1190-5 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)