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BDBM50093462 CHEMBL3586689

SMILES: CN(C)CCNc1cccc2cc(C)c(=O)[nH]c12

InChI Key: InChIKey=ALGGLLBFYHOBNJ-XQZPOBRMSA-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 = 50093462   
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
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50093462
PNG
(CHEMBL3586689)
Show SMILES CN(C)CCNc1cccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C18H22N6O5/c19-18-22-15(20-5-4-9-2-1-3-10(26)6-9)12-16(23-18)24(8-21-12)17-14(28)13(27)11(7-25)29-17/h1-3,6,8,11,13-14,17,25-28H,4-5,7H2,(H3,19,20,22,23)/t11?,13-,14-,17?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093462
PNG
(CHEMBL3586689)
Show SMILES CN(C)CCNc1cccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C18H22N6O5/c19-18-22-15(20-5-4-9-2-1-3-10(26)6-9)12-16(23-18)24(8-21-12)17-14(28)13(27)11(7-25)29-17/h1-3,6,8,11,13-14,17,25-28H,4-5,7H2,(H3,19,20,22,23)/t11?,13-,14-,17?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)

More data for this
Ligand-Target Pair