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BDBM50172116 CHEMBL3809983

SMILES: CC(=O)n1cc(N(C(=O)c2cccc(c2)C(F)(F)F)c2cc(O)ccc2C)c2ccccc12

InChI Key: InChIKey=GRQZQCNAGDASPY-UHFFFAOYSA-N

Data: 1 IC50  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 2 hits for monomerid = 50172116   
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 adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50172116
PNG
(CHEMBL3809983)
Show SMILES CC(=O)n1cc(N(C(=O)c2cccc(c2)C(F)(F)F)c2cc(O)ccc2C)c2ccccc12
Show InChI InChI=1S/C25H19F3N2O3/c1-15-10-11-19(32)13-22(15)30(24(33)17-6-5-7-18(12-17)25(26,27)28)23-14-29(16(2)31)21-9-4-3-8-20(21)23/h3-14,32H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to His-tagged BRAZ2B (unknown origin) expressed in Escherichia coli BL21(DE3) cells by AlphaScreen assay in presence of ...


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50172116
PNG
(CHEMBL3809983)
Show SMILES CC(=O)n1cc(N(C(=O)c2cccc(c2)C(F)(F)F)c2cc(O)ccc2C)c2ccccc12
Show InChI InChI=1S/C25H19F3N2O3/c1-15-10-11-19(32)13-22(15)30(24(33)17-6-5-7-18(12-17)25(26,27)28)23-14-29(16(2)31)21-9-4-3-8-20(21)23/h3-14,32H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 3.90E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged BRAZ2B (1858 to 1972 residues) expressed in T7 phage-infected Escherichia coli BL21(DE3) cells measu...


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)