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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'B-cell lymphoma 6 protein' and Ligand = 'BDBM50602186'   
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)
BDBM50602186
PNG
(CHEMBL5207356)
Show SMILES CN1C(=O)CCc2cc3Nc4nc(ncc4Cl)N4CCN(C[C@@H]4COCCOc(c3)c12)C(=O)CCC(=O)NCCCOCCOCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r|
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01433
BindingDB Entry DOI: 10.7270/Q2JM2FPW
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50602186
PNG
(CHEMBL5207356)
Show SMILES CN1C(=O)CCc2cc3Nc4nc(ncc4Cl)N4CCN(C[C@@H]4COCCOc(c3)c12)C(=O)CCC(=O)NCCCOCCOCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/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)
BDBM50602186
PNG
(CHEMBL5207356)
Show SMILES CN1C(=O)CCc2cc3Nc4nc(ncc4Cl)N4CCN(C[C@@H]4COCCOc(c3)c12)C(=O)CCC(=O)NCCCOCCOCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



J. Uriach & Cia SA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont...


J Med Chem 39: 2197-206 (1996)


Article DOI: 10.1021/jm9508853
More data for this
Ligand-Target Pair