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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM177846'   
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))
BDBM177846
PNG
(US9120791, Example 65 | US9603854, 65)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(Cl)cc2-c2cc(C(=O)N(c3ccc(O)cc3)c3ccc4n(C)ccc4c3)c3ccccn23)CC1
Show InChI InChI=1S/C46H43ClN6O3/c1-48-21-23-50(24-22-48)30-37-25-31-7-3-4-8-33(31)29-52(37)45(55)39-16-10-34(47)27-40(39)44-28-41(43-9-5-6-19-51(43)44)46(56)53(35-11-14-38(54)15-12-35)36-13-17-42-32(26-36)18-20-49(42)2/h3-20,26-28,37,54H,21-25,29-30H2,1-2H3/t37-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 14n/an/an/an/an/an/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...


US Patent US9603854 (2017)


BindingDB Entry DOI: 10.7270/Q2GX4DMT
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM177846
PNG
(US9120791, Example 65 | US9603854, 65)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(Cl)cc2-c2cc(C(=O)N(c3ccc(O)cc3)c3ccc4n(C)ccc4c3)c3ccccn23)CC1
Show InChI InChI=1S/C46H43ClN6O3/c1-48-21-23-50(24-22-48)30-37-25-31-7-3-4-8-33(31)29-52(37)45(55)39-16-10-34(47)27-40(39)44-28-41(43-9-5-6-19-51(43)44)46(56)53(35-11-14-38(54)15-12-35)36-13-17-42-32(26-36)18-20-49(42)2/h3-20,26-28,37,54H,21-25,29-30H2,1-2H3/t37-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 14n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...


US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair