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BDBM50365263 CHEMBL1958337

SMILES: CN1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c(C)nnc12

InChI Key: InChIKey=UYIVCPRWMLOCSB-UHFFFAOYSA-N

Data: 1 Kd

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 1 hit for monomerid = 50365263   
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))
BDBM50365263
PNG
(CHEMBL1958337)
Show SMILES CN1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C17H14ClN5/c1-11-19-20-17-22(2)21-16(12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)23(11)17/h3-10H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/an/a 640n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to BRD4-BD1 by isothermal titration calorimetry


Bioorg Med Chem 20: 1878-86 (2012)


Article DOI: 10.1016/j.bmc.2011.10.080
BindingDB Entry DOI: 10.7270/Q2NC61PZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)