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BDBM161637 US9108983, Example 456

SMILES: C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1-c1cc(C(=O)N(c2ccc(O)cc2)c2cnc(OCCN3CCOCC3)nc2)c(C)n1C

InChI Key: InChIKey=DEGOFNAAIJRJOC-AREMUKBSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 161637   
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))
BDBM161637
PNG
(US9108983, Example 456)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1-c1cc(C(=O)N(c2ccc(O)cc2)c2cnc(OCCN3CCOCC3)nc2)c(C)n1C
Show InChI InChI=1S/C40H41ClN6O5/c1-26-20-28-6-4-5-7-29(28)25-46(26)38(49)34-13-8-30(41)21-36(34)37-22-35(27(2)44(37)3)39(50)47(31-9-11-33(48)12-10-31)32-23-42-40(43-24-32)52-19-16-45-14-17-51-18-15-45/h4-13,21-24,26,48H,14-20,25H2,1-3H3/t26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

n/an/a 2.70n/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