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BDBM161623 US9108983, Example 440

SMILES: COc1cc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(cc1F)-c1cc(C(=O)N(c2cc(C#N)n(C)c2C)c2ccc(O)cc2)c(C)n1C

InChI Key: InChIKey=NQFADRMBOFEGIS-YTTGMZPUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 161623   
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))
BDBM161623
PNG
(US9108983, Example 440)
Show SMILES COc1cc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(cc1F)-c1cc(C(=O)N(c2cc(C#N)n(C)c2C)c2ccc(O)cc2)c(C)n1C
Show InChI InChI=1S/C42H43FN6O5/c1-26-34(42(52)49(30-10-12-33(50)13-11-30)38-19-31(23-44)45(3)27(38)2)21-39(46(26)4)35-20-37(43)40(53-5)22-36(35)41(51)48-24-29-9-7-6-8-28(29)18-32(48)25-47-14-16-54-17-15-47/h6-13,19-22,32,50H,14-18,24-25H2,1-5H3/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 2.60n/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, 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