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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 = 'BDBM50427812'   
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))
BDBM50427812
PNG
(BM-1075 | CHEMBL2325763)
Show SMILES CCn1c(C)c(C(=O)NS(C)(=O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C49H55ClN8O7S3/c1-6-57-34(2)46(49(59)53-67(5,62)63)47(48(57)35-15-17-37(50)18-16-35)36-11-10-12-41(31-36)56-29-27-55(28-30-56)40-21-19-38(20-22-40)52-68(64,65)43-23-24-44(45(32-43)58(60)61)51-39(25-26-54(3)4)33-66-42-13-8-7-9-14-42/h7-24,31-32,39,51-52H,6,25-30,33H2,1-5H3,(H,53,59)/t39-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair