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BDBM161554 US9108983, Example 108::US9108983, Example 448

SMILES: Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1cc(C#N)n(C)c1)c1ccc(O)cc1

InChI Key: InChIKey=RIIZYGXLARDION-YTTGMZPUSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 161554   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM161554
PNG
(US9108983, Example 108 | US9108983, Example 448)
Show SMILES Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1cc(C#N)n(C)c1)c1ccc(O)cc1
Show InChI InChI=1S/C40H39ClN6O4/c1-26-36(40(50)47(30-9-11-34(48)12-10-30)33-20-31(22-42)43(2)24-33)21-38(44(26)3)37-19-29(41)8-13-35(37)39(49)46-23-28-7-5-4-6-27(28)18-32(46)25-45-14-16-51-17-15-45/h4-13,19-21,24,32,48H,14-18,23,25H2,1-3H3/t32-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 2.40n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM161554
PNG
(US9108983, Example 108 | US9108983, Example 448)
Show SMILES Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1cc(C#N)n(C)c1)c1ccc(O)cc1
Show InChI InChI=1S/C40H39ClN6O4/c1-26-36(40(50)47(30-9-11-34(48)12-10-30)33-20-31(22-42)43(2)24-33)21-38(44(26)3)37-19-29(41)8-13-35(37)39(49)46-23-28-7-5-4-6-27(28)18-32(46)25-45-14-16-51-17-15-45/h4-13,19-21,24,32,48H,14-18,23,25H2,1-3H3/t32-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 3.90n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair