BindingDB logo
myBDB logout

BDBM329779 Preparation of 6-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepine::US9663523, Example 43

SMILES: Cc1nnc2C(Cc3nnc(o3)C3CC3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12

InChI Key: InChIKey=DQDAFQJRCYDKLY-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 329779   
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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329779
PNG
(Preparation of 6-(4-chlorophenyl)-4-[(5-cyclopropy...)
Show SMILES Cc1nnc2C(Cc3nnc(o3)C3CC3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:17|
Show InChI InChI=1S/C24H20ClN5O/c1-14-26-28-23-17(13-22-27-29-24(31-22)16-6-7-16)12-20(15-8-10-18(25)11-9-15)19-4-2-3-5-21(19)30(14)23/h2-5,8-12,16-17H,6-7,13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 130n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair