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Compile Data Set for Download or QSAR
Found
4
hits Enz. Inhib. hit(s) with Target = 'B-cell lymphoma 6 protein' and Ligand = 'BDBM50606290'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
B-cell lymphoma 6 protein
(Homo sapiens)
BDBM50606290
(CHEMBL5205388 | US20230287003, Example 13d)
Show SMILES
C[C@H]1C[C@@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
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Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
n/a
n/a
2
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q2RJ4PKC
More data for this
Ligand-Target Pair
3D Structure (crystal)
B-cell lymphoma 6 protein
(Homo sapiens)
BDBM50606290
(CHEMBL5205388 | US20230287003, Example 13d)
Show SMILES
C[C@H]1C[C@@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
2.20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI:
10.7270/Q23B6472
More data for this
Ligand-Target Pair
3D Structure (crystal)
B-cell lymphoma 6 protein
(Homo sapiens)
BDBM50606290
(CHEMBL5205388 | US20230287003, Example 13d)
Show SMILES
C[C@H]1C[C@@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
n/a
n/a
0.700
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI:
10.7270/Q23B6472
More data for this
Ligand-Target Pair
3D Structure (crystal)
B-cell lymphoma 6 protein
(Homo sapiens)
BDBM50606290
(CHEMBL5205388 | US20230287003, Example 13d)
Show SMILES
C[C@H]1C[C@@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
n/a
n/a
1
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI:
10.7270/Q23B6472
More data for this
Ligand-Target Pair
3D Structure (crystal)
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