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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'B-cell lymphoma 6 protein' and Ligand = 'BDBM50511642'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50511642
PNG
(CHEMBL4547183)
Show SMILES C[C@H]1C[C@@H](C)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1 |r|
Show InChI InChI=1S/C24H33ClN6O2/c1-15-10-16(2)14-30(13-15)22-26-12-18(25)21(28-22)27-17-6-7-19-20(11-17)31(23(32)29(19)5)9-8-24(3,4)33/h6-7,11-12,15-16,33H,8-10,13-14H2,1-5H3,(H,26,27,28)/t15-,16+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 760n/an/an/an/an/an/a



J. Uriach & Cia SA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 39: 2197-206 (1996)


Article DOI: 10.1021/jm9508853
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50511642
PNG
(CHEMBL4547183)
Show SMILES C[C@H]1C[C@@H](C)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1 |r|
Show InChI InChI=1S/C24H33ClN6O2/c1-15-10-16(2)14-30(13-15)22-26-12-18(25)21(28-22)27-17-6-7-19-20(11-17)31(23(32)29(19)5)9-8-24(3,4)33/h6-7,11-12,15-16,33H,8-10,13-14H2,1-5H3,(H,26,27,28)/t15-,16+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 760n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
BindingDB Entry DOI: 10.7270/Q2DF6VK2
More data for this
Ligand-Target Pair