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SMILES: CSc1ccc(cc1C(F)(F)F)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1

InChI Key: InChIKey=AXLXBLULIRCIQK-XIFFEERXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 177835   
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))
BDBM177835
PNG
(US9120791, Example 54 | US9603854, 54)
Show SMILES CSc1ccc(cc1C(F)(F)F)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C44H42ClF3N4O4S/c1-57-41-16-12-32(24-38(41)44(46,47)48)52(31-10-13-34(53)14-11-31)43(55)37-25-40(50-17-5-4-8-39(37)50)36-23-30(45)9-15-35(36)42(54)51-26-29-7-3-2-6-28(29)22-33(51)27-49-18-20-56-21-19-49/h2-3,6-7,9-16,23-25,33,53H,4-5,8,17-22,26-27H2,1H3/t33-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 180n/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))
BDBM177835
PNG
(US9120791, Example 54 | US9603854, 54)
Show SMILES CSc1ccc(cc1C(F)(F)F)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C44H42ClF3N4O4S/c1-57-41-16-12-32(24-38(41)44(46,47)48)52(31-10-13-34(53)14-11-31)43(55)37-25-40(50-17-5-4-8-39(37)50)36-23-30(45)9-15-35(36)42(54)51-26-29-7-3-2-6-28(29)22-33(51)27-49-18-20-56-21-19-49/h2-3,6-7,9-16,23-25,33,53H,4-5,8,17-22,26-27H2,1H3/t33-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 180n/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