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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM50519032'   
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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50519032
PNG
(CHEMBL4450255)
Show SMILES CCc1sc2ncnc(N[C@@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r|
Show InChI InChI=1S/C29H24FN3O3S/c1-2-24-25(19-9-6-10-22(16-19)36-21-13-11-20(30)12-14-21)26-27(31-17-32-28(26)37-24)33-23(29(34)35)15-18-7-4-3-5-8-18/h3-14,16-17,23H,2,15H2,1H3,(H,34,35)(H,31,32,33)/t23-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 2.40E+4n/an/an/an/an/an/an/an/a



Servier Research Institute of Medicinal Chemistry

Curated by ChEMBL


Assay Description
Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from human N-terminal thrombin cleavage site-fused/His6-tagged Bcl-2 expressed in Es...

J Med Chem 62: 6913-6924 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00134
BindingDB Entry DOI: 10.7270/Q2DZ0CPH
More data for this
Ligand-Target Pair