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BDBM161636 US9108983, Example 455

SMILES: C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1-c1cc(C(=O)N(c2cc(C#N)n(CCN3CCOCC3)c2C)c2ccc(O)cc2)c(C)n1C

InChI Key: InChIKey=NBLQZIGLRGTXOY-HHHXNRCGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 161636   
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))
BDBM161636
PNG
(US9108983, Example 455)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1-c1cc(C(=O)N(c2cc(C#N)n(CCN3CCOCC3)c2C)c2ccc(O)cc2)c(C)n1C
Show InChI InChI=1S/C42H43ClN6O4/c1-27-21-30-7-5-6-8-31(30)26-48(27)41(51)36-14-9-32(43)22-38(36)40-24-37(28(2)45(40)4)42(52)49(33-10-12-35(50)13-11-33)39-23-34(25-44)47(29(39)3)16-15-46-17-19-53-20-18-46/h5-14,22-24,27,50H,15-21,26H2,1-4H3/t27-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.90n/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