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BDBM32591 1-aza-2-oxobicyclo[5.3.0]decane scaffold, 20b

SMILES: CC[C@H](N)C(=O)N[C@H]1[C@@H](CN(CC)Cc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=ZHNPIYLLDWNMTK-UCDLYESDSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 32591   
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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM32591
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 20b)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CN(CC)Cc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H47N5O3/c1-3-31(38)35(43)40-34-29(25-41(4-2)24-26-14-8-5-9-15-26)20-21-30-22-23-32(42(30)37(34)45)36(44)39-33(27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-19,29-34H,3-4,20-25,38H2,1-2H3,(H,39,44)(H,40,43)/t29-,30+,31+,32+,34+/m1/s1
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Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM32591
PNG
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 20b)
Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CN(CC)Cc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H47N5O3/c1-3-31(38)35(43)40-34-29(25-41(4-2)24-26-14-8-5-9-15-26)20-21-30-22-23-32(42(30)37(34)45)36(44)39-33(27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-19,29-34H,3-4,20-25,38H2,1-2H3,(H,39,44)(H,40,43)/t29-,30+,31+,32+,34+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 440n/an/an/an/a7.523



Universita degli Studi di Milano



Assay Description
Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...


Bioorg Med Chem 17: 5834-56 (2009)


Article DOI: 10.1016/j.bmc.2009.07.009
BindingDB Entry DOI: 10.7270/Q28W3BNV
More data for this
Ligand-Target Pair