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PDB code 6CQ1

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BCoR-BCL6

  (125/129 = 97%)
(Homo sapiens)
BDBM50366282
PNG
(CHEMBL4172762)
Show SMILES CC(C)NC(=O)Cn1cc(CN2CCN(C)CC2)c2ccc(NC(=S)NCCc3c[nH]c4ccccc34)cc12
Show InChI InChI=1S/C30H39N7OS/c1-21(2)33-29(38)20-37-19-23(18-36-14-12-35(3)13-15-36)26-9-8-24(16-28(26)37)34-30(39)31-11-10-22-17-32-27-7-5-4-6-25(22)27/h4-9,16-17,19,21,32H,10-15,18,20H2,1-3H3,(H,33,38)(H2,31,34,39)
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PC sid
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Article
PubMed
n/an/a 1.42E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB domain C8Q/C67R/C84N/E99V ...


J Med Chem 61: 7573-7588 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00040
BindingDB Entry DOI: 10.7270/Q27M0BGD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BCoR-BCL6

  (125/129 = 97%)
(Homo sapiens)
BDBM50366282
PNG
(CHEMBL4172762)
Show SMILES CC(C)NC(=O)Cn1cc(CN2CCN(C)CC2)c2ccc(NC(=S)NCCc3c[nH]c4ccccc34)cc12
Show InChI InChI=1S/C30H39N7OS/c1-21(2)33-29(38)20-37-19-23(18-36-14-12-35(3)13-15-36)26-9-8-24(16-28(26)37)34-30(39)31-11-10-22-17-32-27-7-5-4-6-25(22)27/h4-9,16-17,19,21,32H,10-15,18,20H2,1-3H3,(H,33,38)(H2,31,34,39)
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GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 2.19E+5n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to isotopically labeled and N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB d...


J Med Chem 61: 7573-7588 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00040
BindingDB Entry DOI: 10.7270/Q27M0BGD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output