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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 = 'BDBM50388985'   
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))
BDBM50388985
PNG
(CHEMBL2063885)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C56H63ClN8O8S2/c1-61(2)29-25-46(39-74-48-11-5-4-6-12-48)59-51-24-23-49(36-52(51)65(70)71)75(72,73)60-55(68)43-17-15-40(16-18-43)13-14-41-9-7-10-44(35-41)53-50(42-19-21-45(57)22-20-42)37-64(30-26-47(67)38-66)54(53)56(69)58-27-8-28-63-33-31-62(3)32-34-63/h4-7,9-12,15-24,35-37,46-47,59,66-67H,8,25-34,38-39H2,1-3H3,(H,58,69)(H,60,68)/t46-,47+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair