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SMILES: Cn1ncc2cc(ccc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1

InChI Key: InChIKey=XDZOCBXIWLLHAO-DHUJRADRSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 177823   
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))
BDBM177823
PNG
(US9120791, Example 42 | US9603854, 42)
Show SMILES Cn1ncc2cc(ccc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C44H43ClN6O4/c1-47-40-16-12-34(23-31(40)26-46-47)51(33-10-13-36(52)14-11-33)44(54)39-25-42(49-17-5-4-8-41(39)49)38-24-32(45)9-15-37(38)43(53)50-27-30-7-3-2-6-29(30)22-35(50)28-48-18-20-55-21-19-48/h2-3,6-7,9-16,23-26,35,52H,4-5,8,17-22,27-28H2,1H3/t35-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 13n/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))
BDBM177823
PNG
(US9120791, Example 42 | US9603854, 42)
Show SMILES Cn1ncc2cc(ccc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C44H43ClN6O4/c1-47-40-16-12-34(23-31(40)26-46-47)51(33-10-13-36(52)14-11-33)44(54)39-25-42(49-17-5-4-8-41(39)49)38-24-32(45)9-15-37(38)43(53)50-27-30-7-3-2-6-29(30)22-35(50)28-48-18-20-55-21-19-48/h2-3,6-7,9-16,23-26,35,52H,4-5,8,17-22,27-28H2,1H3/t35-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 13n/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