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BDBM50266778 CHEMBL4069971

SMILES: Nc1ncc(Cl)c(Nc2ccccc2)n1

InChI Key: InChIKey=FRISIUXBSNAYFR-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50266778   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BCoR-BCL6


(Homo sapiens)
BDBM50266778
PNG
(CHEMBL4069971)
Show SMILES Nc1ncc(Cl)c(Nc2ccccc2)n1
Show InChI InChI=1S/C10H9ClN4/c11-8-6-13-10(12)15-9(8)14-7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15)
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PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/an/a 6.80E+4n/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to captured wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL2...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)